SCHEMBL84448

SCHEMBL84448

Cc1ccc(C(C)C)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.56
LMNA P02545 1/20 0.56
CHRM1 P11229 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56
HTR2B P41595 1/20 0.56
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
PDE2A O00408 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL7992434 0.84 TRPA1 (0.43) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL18103172 0.82 TRPA1 (0.42) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL17767222 0.82 PDE2A (0.58) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL13345087 0.82 TRPA1 (0.47) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL20811584 0.82 PDE2A (0.58) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL17769044 0.82 PDE2A (0.58) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL84060 0.81 TRPA1 (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL8981744 0.81 TRPA1 (0.40) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL13826610 0.80 PDE2A (0.59) TRPA1LMNACHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL20790469 0.80 PDE2A (0.56) TRPA1LMNACHRM1SLC6A2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217972-A1 GLUTARIMIDE-CONTAINING PAN-KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. 2024-07-04 US disclosed
WO-2024145569-A2 AZAINDOLE ROCK INHIBITORS AVICENNA BIOSCIENCES, INC. (US) 2024-07-04 WO disclosed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
WO-2024145245-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
US-12024507-B2 Compounds as GLP-1R agonists TERNS PHARMACEUTICALS, INC. (US) 2024-07-02 US disclosed
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. 2024-06-27 US disclosed
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 US disclosed
WO-2024126117-A1 PYRIMIDINONE DERIVATIVES AS PESTICIDAL COMPOUNDS BASF SE (DE) 2024-06-20 WO disclosed
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES MERCK SHARP & DOHME LLC (US) 2024-02-29 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-20070225317-A1 RSV POLYMERASE INHIBITORS SIMONEAU BRUNO 2007-09-27 US disclosed
US-20070219176-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 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-20070135493-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-06-14 US disclosed
US-20070060572-A1 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-15 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO 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 (14 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 TRPA1 3080/4885LMNA 170/4885CHRM1 3754/4885
US-20070219176-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E TRPA1 4809/4885LMNA 3643/4885CHRM1 4427/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 TRPA1 345/4885LMNA 2312/4885CHRM1 1248/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TRPA1 3080/4885LMNA 170/4885CHRM1 3754/4885
US-12024507-B2 Compounds as GLP-1R agonists GLP1R, GIPR, GCGR TRPA1 953/4885LMNA 2472/4885CHRM1 1300/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 TRPA1 3049/4885LMNA 3537/4885CHRM1 4870/4885
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION SLC18A2, SLC6A19, SLC1A1 TRPA1 4596/4885LMNA 3886/4885CHRM1 4671/4885
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL TRPA1 4876/4885LMNA 2226/4885CHRM1 3828/4885
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES TLR7, MALT1, PNPO TRPA1 3274/4885LMNA 1676/4885CHRM1 1407/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 TRPA1 3/4885LMNA 3442/4885CHRM1 3659/4885
US-20240217972-A1 GLUTARIMIDE-CONTAINING PAN-KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF KRAS, VHL, HRAS TRPA1 4584/4885LMNA 2727/4885CHRM1 4874/4885
US-20070225317-A1 RSV POLYMERASE INHIBITORS POLR2E, POLR2H, POLR2A TRPA1 4537/4885LMNA 2603/4885CHRM1 1471/4885
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A TRPA1 3610/4885LMNA 1527/4885CHRM1 888/4885
US-20070060572-A1 Inhibitors of p38 MAPK1, MAPK3, MAP3K1 TRPA1 3790/4885LMNA 2007/4885CHRM1 4684/4885

“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.