SCHEMBL2739922

SCHEMBL2739922

CC(C)N1CCCC(F)(F)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.34
HSD11B2 P80365 1/20 0.34
CYP2D6 P10635 1/20 0.31
P2RX7 Q99572 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ADORA2A P29274 2/20 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
SCHEMBL437013 0.85 CYP2D6 (0.38) CYP2D6
SCHEMBL26454892 0.82 HSD11B1 (0.33) HSD11B1HSD11B2P2RX7ADORA2A
SCHEMBL11953293 0.82 CYP2D6 (0.33) CYP2D6ADORA2A
SCHEMBL22098616 0.82 HSD11B1 (0.33) HSD11B1HSD11B2P2RX7
SCHEMBL25784986 0.82 HSD11B1 (0.34) HSD11B1HSD11B2P2RX7ADORA2A
SCHEMBL25773897 0.82 HSD11B1 (0.33) HSD11B1HSD11B2P2RX7ADORA2A
SCHEMBL22047432 0.82 CYP2D6 (0.33) CYP2D6ADORA2A
SCHEMBL2603309 0.81 CYP2D6 (0.39) CYP2D6HRH3
SCHEMBL24317895 0.80
SCHEMBL26451999 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
WO-2023247590-A1 TRIAZOLOPYRIDINE AND BENZOISOXAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
WO-2023247595-A1 PYRAZOLOPYRAZINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
WO-2023247593-A1 PYRROLOPYRIDINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20090047249-A1 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2009-02-19 US disclosed
US-20090047249-A1 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2009-02-19 US disclosed
US-20080249093-A1 (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists MERCK & CO., INC. (US) 2008-10-09 US disclosed
US-20080249093-A1 (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists MERCK & CO., INC. (US) 2008-10-09 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 HSD11B1 241/4885HSD11B2 787/4885CYP2D6 993/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 HSD11B1 241/4885HSD11B2 787/4885CYP2D6 993/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 HSD11B1 3775/4885HSD11B2 3598/4885CYP2D6 1629/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF HSD11B1 3257/4885HSD11B2 3603/4885CYP2D6 4304/4885
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 HSD11B1 63/4885HSD11B2 97/4885CYP2D6 1714/4885
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS HSD11B1 1787/4885HSD11B2 2508/4885CYP2D6 3131/4885
US-20090047249-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 HSD11B1 4011/4885HSD11B2 4114/4885CYP2D6 3812/4885
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, SHBG, NR5A1 HSD11B1 22/4885HSD11B2 27/4885CYP2D6 113/4885
US-20080249093-A1 (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists S1PR1, S1PR3, S1PR5 HSD11B1 1080/4885HSD11B2 1682/4885CYP2D6 3692/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 HSD11B1 3722/4885HSD11B2 4080/4885CYP2D6 4682/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS HSD11B1 1787/4885HSD11B2 2508/4885CYP2D6 3131/4885

“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.