SCHEMBL77362

SCHEMBL77362

CC(C)(C)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.54
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
SLC22A11 Q9NSA0 1/20 0.37
GAA P10253 1/20 0.37
SCN8A Q9UQD0 4/20 0.37
SCN10A Q9Y5Y9 4/20 0.37
KIF11 P52732 2/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIK3CA P42336 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
PDPK1 O15530 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL12241431 0.87 TRPV4 (0.39) TRPV4ALDH1A1CYP2C9KIF11KMT2A
SCHEMBL26151644 0.87 TRPV4 (0.39) TRPV4ALDH1A1KIF11TSHRLMNA
SCHEMBL4149032 0.84 TRPV4 (0.60) TRPV4ALDH1A1GAAKIF11KMT2A
SCHEMBL701703 0.84 TSHR (0.46) ALDH1A1KIF11TSHRLMNATYR
SCHEMBL29754040 0.84 TSHR (0.46) ALDH1A1KIF11TSHRLMNATYR
SCHEMBL21287931 0.83 TRPV4 (0.40) TRPV4ALDH1A1SCN8ASCN10AKMT2A
SCHEMBL24836881 0.83 TRPV4 (0.41) TRPV4ALDH1A1KIF11KMT2ATSHR
SCHEMBL2253515 0.83 TRPV4 (0.50) TRPV4ALDH1A1CYP2C9SLC22A6SLC22A8
SCHEMBL16019418 0.83 TRPV4 (0.50) TRPV4ALDH1A1CYP2C9SLC22A6SLC22A8
SCHEMBL26327220 0.83 TRPV4 (0.36) TRPV4ALDH1A1KIF11KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2024-02-27 US disclosed
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2024-02-27 US disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-7384948-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 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-20070135631-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 (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 TRPV4 4053/4885ALDH1A1 2353/4885CYP2C9 769/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT TRPV4 4149/4885ALDH1A1 208/4885CYP2C9 1117/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TRPV4 4053/4885ALDH1A1 2353/4885CYP2C9 769/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TRPV4 1199/4885ALDH1A1 1892/4885CYP2C9 2536/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP TRPV4 4080/4885ALDH1A1 4157/4885CYP2C9 4884/4885
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB TRPV4 2855/4885ALDH1A1 4109/4885CYP2C9 4476/4885
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 TRPV4 1472/4885ALDH1A1 2654/4885CYP2C9 1526/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 TRPV4 3629/4885ALDH1A1 1218/4885CYP2C9 799/4885
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 TRPV4 4709/4885ALDH1A1 1779/4885CYP2C9 1249/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 TRPV4 437/4885ALDH1A1 2651/4885CYP2C9 3968/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP TRPV4 3594/4885ALDH1A1 312/4885CYP2C9 1000/4885

“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.