SCHEMBL102076

SCHEMBL102076

CC(C)CC1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.52
HRH3 Q9Y5N1 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
ACHE P22303 4/20 0.34
OPRK1 P41145 1/20 0.33
MEN1 O00255 1/20 0.32
MITF O75030 1/20 0.32
KMT2A Q03164 1/20 0.32
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32
GNAI1 P63096 2/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21636914 0.91 NCF1 (0.45) NCF1HRH3HRH4ACHE
SCHEMBL23645702 0.88 NCF1 (0.44) NCF1HRH3HRH4OPRK1MEN1
SCHEMBL22020557 0.88 NCF1 (0.44) NCF1HRH3HRH4OPRK1MEN1
SCHEMBL8235125 0.88 NCF1 (0.44) NCF1HRH3HRH4OPRK1MEN1
SCHEMBL24700242 0.88 NCF1 (0.42) NCF1HRH3HRH4OPRK1KDM1A
SCHEMBL25075208 0.85 NCF1 (0.39) NCF1HRH3HRH4ACHEGNAI3
SCHEMBL19681559 0.83 NCF1 (0.38) NCF1GNAI3GNAO1GNAI1
SCHEMBL24497391 0.82 CHRM5 (0.40) NCF1HRH4ACHEOPRK1MEN1
SCHEMBL19090016 0.81 NCF1 (0.48) NCF1HRH3HRH4ACHEMEN1
SCHEMBL10442553 0.81 NCF1 (0.48) NCF1HRH3HRH4ACHEMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 321 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 US disclosed
WO-2024019995-A1 QUINOXALINEDIONE AND PYRIDO [2, 3-B]PYRAZINE-2, 3-DIONE B CELL LYMPHOMA 6 (BCL6) DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-01-25 WO disclosed
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2024-01-18 US disclosed
WO-2023247590-A1 TRIAZOLOPYRIDINE AND BENZOISOXAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
US-20230398110-A1 COMPOSITIONS AND METHODS FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-12-14 US disclosed
US-20230398110-A1 COMPOSITIONS AND METHODS FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-12-14 US disclosed
US-11834417-B2 Compositions for the treatment of hypertension and/or fibrosis VECTUS BIOSYSTEMS LIMITED (AU) 2023-12-05 US disclosed
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
US-20230365530-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT OMIC SMAP INC. (KR) 2023-11-16 US disclosed
US-11814388-B1 Substituted pyrrolo[2,3-d]pyrimidines and pyrazolo[3,4-d]pyrimidines as inhibitors for multi-resistant cancers FERRIS STATE UNIVERSITY (US) 2023-11-14 US disclosed
US-7435729-B2 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-14 US disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 US disclosed
EP-1495009-B1 CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2008-03-12 EP disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-7253286-B2 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI CO., LTD (JP) 2007-08-07 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC NCF1 576/4885HRH3 945/4885HRH4 674/4885
US-20230398110-A1 COMPOSITIONS AND METHODS FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS FABP1, LIPC, PNLIP NCF1 1426/4885HRH3 3725/4885HRH4 3997/4885
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF BCL2, BCL2L2, BCL2L1 NCF1 1731/4885HRH3 4843/4885HRH4 4878/4885
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 NCF1 724/4885HRH3 355/4885HRH4 291/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 NCF1 1292/4885HRH3 1831/4885HRH4 2271/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 NCF1 1800/4885HRH3 758/4885HRH4 459/4885
US-11834417-B2 Compositions for the treatment of hypertension and/or fibrosis TGFB1, REN, TGFB2 NCF1 1276/4885HRH3 471/4885HRH4 457/4885
US-11814388-B1 Substituted pyrrolo[2,3-d]pyrimidines and pyrazolo[3,4-d]pyrimidines as inhibitors for multi-resistant cancers AURKA, AURKC, AURKB NCF1 1167/4885HRH3 116/4885HRH4 81/4885
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF BTK, SYK, LCK NCF1 1598/4885HRH3 1735/4885HRH4 1820/4885
US-20230365530-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT EHMT2, EHMT1, HNMT NCF1 2142/4885HRH3 158/4885HRH4 211/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 NCF1 1949/4885HRH3 3852/4885HRH4 4150/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 NCF1 1292/4885HRH3 1831/4885HRH4 2271/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.