SCHEMBL4771404

SCHEMBL4771404

NC(=O)c1ccc(CC2CCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.56
GAA P10253 1/20 0.56
TBK1 Q9UHD2 1/20 0.51
CHEK2 O96017 2/20 0.49
ACP1 P24666 1/20 0.47
PARP10 Q53GL7 5/20 0.45
PARP15 Q460N3 4/20 0.45
PARP2 Q9UGN5 2/20 0.45
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43
P2RX7 Q99572 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C9 P11712 1/20 0.41
MAOB P27338 1/20 0.41

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
Hydrochloric Acid SCHEMBL4768631 0.98 GAA (0.55) GBA1GAATBK1CHEK2ACP1
SCHEMBL28160650 0.88 GAA (0.63) GAACHEK2PARP10PARP15PARP2
SCHEMBL6260511 0.85 GBA1 (0.62) GBA1GAATBK1SLC6A4
SCHEMBL28325439 0.84 GAA (0.60) GAACHEK2PARP10PARP15PARP2
SCHEMBL12735893 0.84 MAOB (0.58) GAACHEK2ACP1PARP10PARP15
SCHEMBL7454910 0.83 GBA1 (0.56) GBA1GAATBK1P2RX7SLC6A4
SCHEMBL8648753 0.83 GBA1 (0.56) GBA1TBK1SLC6A4MAOB
SCHEMBL3139626 0.83 GBA1 (0.56) GBA1GAATBK1SLC6A4
Hydrochloric Acid SCHEMBL6153782 0.83 GBA1 (0.61) GBA1GAATBK1SLC6A4
Hydrochloric Acid SCHEMBL1532745 0.83 MAOB (0.56) GAACHEK2ACP1PARP10PARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079899-A Application of pharmaceutical composition in preparation of medicines for preventing or treating diseases related to Sirttail 7 protein 2026-05-26 CN disclosed
CN-116829542-A Benzothiazole and benzimidazole derivatives, pharmaceutically acceptable salts, preparation method thereof and pharmaceutical composition containing same as active ingredient 韩国化学研究院 2023-09-29 CN disclosed
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7348324-B2 Cyclic amine compounds as CCR5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-25 US disclosed
EP-1886994-A1 Cyclic amine compounds as CCR5 antagonists Takeda Pharmaceutical Company Limited (JP) 2008-02-13 EP disclosed
US-7049441-B2 Process for preparation of benzylpiperidine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-23 US disclosed
EP-1219605-B1 UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-10 EP disclosed
US-20060094877-A1 Process for preparation of benzylpiperidine compounds MIKI SHOKYO 2006-05-04 US disclosed
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
US-20050038257-A1 Process for preparation of benzylpiperidine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-17 US disclosed
US-6787650-B1 CCR5 ANTAGONISTIC ACTIVITY; SUCH AS N-(3-(4-BENZYL-1-PIPERIDINYL)PROPYL)-N'-4-CHLOROPHENYL)-N-PHENYLUREA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-07 US disclosed
CN-1494529-A Process for preparing benzylpiperidine compounds 武田药品工业株式会社 2004-05-05 CN disclosed
EP-1359145-A1 PROCESS FOR PREPARATION OF BENZYLPIPERIDINE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-11-05 EP disclosed
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
US-6562978-B1 N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-13 US disclosed
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN disclosed
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 EP disclosed
EP-1219605-A1 UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 WO disclosed
CN-1243505-A Benzamidine derivatives AJINOMOTO KK (JP) 2000-02-02 CN 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 (4 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-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 GBA1 2987/4885GAA 4215/4885TBK1 4119/4885
US-20050038257-A1 Process for preparation of benzylpiperidine compounds SBDS, DRD4, HRH1 GBA1 703/4885GAA 1844/4885TBK1 1973/4885
US-20060094877-A1 Process for preparation of benzylpiperidine compounds SBDS, DRD4, HRH1 GBA1 703/4885GAA 1844/4885TBK1 1973/4885
US-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 GBA1 847/4885GAA 2875/4885TBK1 2844/4885

“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.