SCHEMBL3106474

SCHEMBL3106474

CC(=O)CN(C)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
ACHE P22303 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 2/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
MEN1 O00255 1/20 0.50
BCHE P06276 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL4182138 0.86 CARM1 (0.53) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL304452 0.86 RAB9A (0.55) RAB9ANPC1CA12CA9ALDH1A1
Dibemethine SCHEMBL28224227 0.84 ALDH1A1 (0.56) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL6444116 0.84 RAB9A (0.53) RAB9ANPC1CA12CA9ALDH1A1
Hydrochloric Acid SCHEMBL5760483 0.84 RAB9A (0.53) RAB9ANPC1CA12CA9ALDH1A1
Potassium SCHEMBL6997235 0.84 RAB9A (0.53) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL16081226 0.82 PYCR1 (0.50) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4182133 0.82 RAB9A (0.52) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL6264194 0.82 NPC1 (0.50) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL14189539 0.81 HTT (0.42) ALDH1A1KDM4EKMT2ATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250057815-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-02-20 US disclosed
US-12077528-B2 Preparation method for deuterated macrocyclic compound SHENZHEN TARGETRX, INC. (CN) 2024-09-03 US disclosed
WO-2024089405-A2 INSECT NEUROPEPTIDE ANALOGUES Solasta Bio Limited (GB) 2024-05-02 WO disclosed
US-20230390249-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-12-07 US disclosed
CN-116640117-A Triazole LPAR1 antagonists and uses thereof 武汉人福创新药物研发中心有限公司 2023-08-25 CN disclosed
WO-2023109878-A1 TRIAZASPIRO LPAR1 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-06-22 WO disclosed
WO-2023109878-A1 TRIAZASPIRO LPAR1 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-06-22 WO disclosed
WO-2023099922-A1 INSECT NEUROPEPTIDE ANALOGUES Solasta Bio Limited (GB) 2023-06-08 WO disclosed
WO-2023072971-A2 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-05-04 WO disclosed
US-RE49352-E1 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-03 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
WO-2007070705-A2 CATIONIC LIPID-MEDIATED VECTORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-06-21 WO disclosed
WO-2007070705-A2 CATIONIC LIPID-MEDIATED VECTORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-06-21 WO disclosed
US-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide G.D. SEARLE & CO. (US) 2007-02-15 US disclosed
US-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide G.D. SEARLE & CO. (US) 2007-02-15 US disclosed
US-7161033-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2007-01-09 US disclosed
US-7161033-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2007-01-09 US disclosed
US-4248876-A Piperidine derivatives JOHN WYETH & BROTHER LTD. (GB) 1981-02-03 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 (5 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-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS RAB9A 2463/4885NPC1 65/4885CA12 3169/4885
US-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide DNPEP, PREP, ANPEP RAB9A 3516/4885NPC1 2137/4885CA12 3723/4885
US-20230390249-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 RAB9A 1859/4885NPC1 463/4885CA12 3731/4885
US-20250057815-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 RAB9A 1859/4885NPC1 463/4885CA12 3731/4885
US-12077528-B2 Preparation method for deuterated macrocyclic compound CTRC, GCG, SBDS RAB9A 3757/4885NPC1 1364/4885CA12 3513/4885

“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.