SCHEMBL681100

SCHEMBL681100

CC(C)(C)c1ccc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
PLAU P00749 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
CYP2A6 P11509 1/20 0.32
CA2 P00918 1/20 0.32
PDE10A Q9Y233 1/20 0.32
FDPS P14324 1/20 0.32

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
SCHEMBL29926723 1.00 GBA1 (0.41) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL18015410 0.85 CA2 (0.43) GBA1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL17113669 0.82 TRPV4 (0.39) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL13637055 0.82 ADRA2A (0.38) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL29744288 0.82 TRPV4 (0.39) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL15001189 0.82 PDE10A (0.43) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL152558 0.82 PDE10A (0.43) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL15001191 0.82 PDE10A (0.43) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL31316741 0.82 ADRA2A (0.38) GBA1ALDH1A1KDM4EADRA2AADRA2B
SCHEMBL18397012 0.82 TRPV4 (0.39) GBA1ALDH1A1KDM4EADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
US-20250361236-A9 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2025-11-27 US disclosed
EP-4619406-A1 TRICYCLIC COMPOUNDS Schrödinger, Inc. (US) 2025-09-24 EP disclosed
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
US-20250154107-A1 3,4-Dihydroisoquinolin-1(2H)-Ones Derivatives as STING Antagonists and the Use Thereof BEIGENE SWITZERLAND GMBH (CH) 2025-05-15 US disclosed
US-20250114374-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2025-04-10 US disclosed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
CN-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 CN disclosed
EP-4511116-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
CN-115362151-B Arylpiperidines as monoacylglycerol lipase modulators 詹森药业有限公司 2025-02-11 CN disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-7384948-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
CN-101160285-A Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as vr1 receptor antagonists PFIZER (US) 2008-04-09 CN disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 US disclosed
EP-1861359-A1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN Pfizer, Inc. (US) 2007-12-05 EP disclosed
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 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
WO-2006097817-A1 N- (N-SULFONYLAMINOMETHYL) CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER JAPAN INC. (JP) 2006-09-21 WO disclosed
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER, INC. 2006-09-21 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 GBA1 545/4885ALDH1A1 2353/4885KDM4E 1618/4885
US-20250114374-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L10 GBA1 1175/4885ALDH1A1 3831/4885KDM4E 393/4885
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists CNR1, HVCN1, CNR2 GBA1 693/4885ALDH1A1 1314/4885KDM4E 4595/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GBA1 545/4885ALDH1A1 2353/4885KDM4E 1618/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 GBA1 1541/4885ALDH1A1 3524/4885KDM4E 2973/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 GBA1 3684/4885ALDH1A1 1715/4885KDM4E 1647/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 GBA1 514/4885ALDH1A1 1762/4885KDM4E 4346/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 GBA1 1354/4885ALDH1A1 411/4885KDM4E 1137/4885
US-20250361236-A9 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK GBA1 1927/4885ALDH1A1 4095/4885KDM4E 1748/4885
US-20250154107-A1 3,4-Dihydroisoquinolin-1(2H)-Ones Derivatives as STING Antagonists and the Use Thereof STING1, IRF3, MAVS GBA1 1265/4885ALDH1A1 4770/4885KDM4E 2570/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 GBA1 3355/4885ALDH1A1 2732/4885KDM4E 1183/4885

“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.