SCHEMBL4729458

SCHEMBL4729458

CC(C)(C)c1ccc(F)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
ACHE P22303 1/20 0.36
GRM5 P41594 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CCR9 P51686 1/20 0.33
APLNR P35414 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
PTGS2 P35354 4/20 0.32
KDM4E B2RXH2 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HSD11B1 P28845 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL29649716 0.84 TRPV4 (0.40) TRPV4GRM5ALDH1A1APLNRGPR119
SCHEMBL17586504 0.84 TRPV4 (0.40) TRPV4GRM5ALDH1A1APLNRGPR119
SCHEMBL22601469 0.83 GPR55 (0.40) ACHEGRM5PTGS2SQORCYP3A4
SCHEMBL16019424 0.82 TRPV4 (0.34) TRPV4GRM5ALDH1A1APLNRGPR119
SCHEMBL22601464 0.82 TRPV4 (0.39) TRPV4GRM5ALDH1A1APLNRGPR119
SCHEMBL23262834 0.82 GRM5 (0.35) TRPV4GRM5ALDH1A1APLNRGPR119
SCHEMBL18463843 0.82 TRPV4 (0.34) TRPV4GRM5ALDH1A1APLNRGPR119
SCHEMBL16132531 0.82 HSD11B1 (0.37) TRPV4APLNRPTGS2PDE10AHSD11B1
SCHEMBL1507186 0.82 PDE10A (0.43) TRPV4APLNRPTGS2PDE10AHSD11B1
SCHEMBL18415010 0.79 BRS3 (0.38) TRPV4GRM5ALDH1A1KDM4EPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-11820770-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US disclosed
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (13 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 TRPV4 4053/4885ACHE 3249/4885GRM5 4870/4885
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK2A1 TRPV4 4006/4885ACHE 320/4885GRM5 975/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TRPV4 4053/4885ACHE 3249/4885GRM5 4870/4885
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents HAVCR2, HDGF, HCCS TRPV4 4179/4885ACHE 4146/4885GRM5 3656/4885
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS BCLAF1, EED, BCL3 TRPV4 4849/4885ACHE 4876/4885GRM5 3745/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TRPV4 1199/4885ACHE 4738/4885GRM5 3479/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP TRPV4 3763/4885ACHE 3203/4885GRM5 4799/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 TRPV4 4594/4885ACHE 3872/4885GRM5 609/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 TRPV4 437/4885ACHE 4849/4885GRM5 2864/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 TRPV4 521/4885ACHE 1038/4885GRM5 222/4885
US-11820770-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 TRPV4 45/4885ACHE 1756/4885GRM5 322/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 TRPV4 4813/4885ACHE 2723/4885GRM5 3307/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 TRPV4 1303/4885ACHE 4793/4885GRM5 310/4885

“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.