SCHEMBL10105660

SCHEMBL10105660

Cc1cnc(C(C)C)nc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APLNR P35414 5/20 0.58
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NOS3 P29474 3/20 0.35
NOS2 P35228 3/20 0.35
NOS1 P29475 2/20 0.33
PSMD14 O00487 1/20 0.30
COPS5 Q92905 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL15274514 0.78 APLNR (0.67) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL12457569 0.78 APLNR (0.67) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL14677407 0.78 APLNR (0.54) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL24080199 0.78 APLNR (0.55) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL13943922 0.78 APLNR (0.54) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL2757603 0.77 APLNR (0.36) APLNR
SCHEMBL8994058 0.74 APLNR (0.39) APLNR
SCHEMBL2063215 0.74 APLNR (0.34) APLNR
SCHEMBL25484222 0.74 APLNR (0.34) APLNR
SCHEMBL17562260 0.74 APLNR (0.50) APLNRCCR1CCR5CCR8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239759-A1 ISOXAZOLINE COMPOSITIONS AND THEIR USE AS ANTIPARASITICS INTERVET INC. (US) 2024-07-18 US disclosed
US-20240239759-A1 ISOXAZOLINE COMPOSITIONS AND THEIR USE AS ANTIPARASITICS INTERVET INC. (US) 2024-07-18 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20240226114-A1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2024-07-11 US disclosed
EP-3930838-B1 N-(PYRIDINYL)ACETAMIDE DERIVATIVES AS P300/CBP HAT INHIBITORS AND METHODS FOR THEIR USE CONSTELLATION PHARMACEUTICALS INC (US) 2024-07-10 EP disclosed
WO-2024137329-A1 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2024-06-27 WO disclosed
WO-2024129892-A2 INHIBITORS OF PROCASPASE-6 ACTIVATION AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 WO disclosed
WO-2024073587-A1 N-ACRYLOYLMORPHOLINE DERIVATIVES AS KEAP1 MODULATORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
WO-2024054953-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
US-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 US disclosed
US-20080070888-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 US disclosed
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 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 (11 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-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM GPR119, PNLIP, CYP46A1 APLNR 1633/4885CCR1 2597/4885CCR5 1713/4885
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A APLNR 2525/4885CCR1 4706/4885CCR5 3664/4885
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL APLNR 1166/4885CCR1 2773/4885CCR5 3222/4885
US-20080070888-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM OPRD1, OPRK1, OPRL1 APLNR 1223/4885CCR1 1396/4885CCR5 1094/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 APLNR 1968/4885CCR1 577/4885CCR5 1048/4885
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM CYP46A1, OPRD1, OPRK1 APLNR 1926/4885CCR1 1346/4885CCR5 1066/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 APLNR 3978/4885CCR1 2100/4885CCR5 2726/4885
US-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 APLNR 2727/4885CCR1 2937/4885CCR5 2300/4885
US-20240226114-A1 INHIBITORS AND USES THEREOF KEAP1, NQO1, NFE2L2 APLNR 3369/4885CCR1 4122/4885CCR5 3587/4885
US-20240239759-A1 ISOXAZOLINE COMPOSITIONS AND THEIR USE AS ANTIPARASITICS PRDX5, TUBA3C, TUBA1C APLNR 3930/4885CCR1 4414/4885CCR5 1912/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 APLNR 2417/4885CCR1 1429/4885CCR5 1896/4885

“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.