SCHEMBL165540

SCHEMBL165540

C1CC[C@@H]2CNCC[C@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CCR5 P51681 1/20 0.37
HTR2C P28335 1/20 0.35
HTR6 P50406 1/20 0.34
HTR3A P46098 1/20 0.32
SLC6A1 P30531 3/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
KCNH2 Q12809 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PNMT P11086 1/20 0.30
APLNR P35414 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
NOS2 P35228 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL8017282 1.00 ALDH1A1 (0.47) ALDH1A1CCR5HTR2CHTR6HTR3A
SCHEMBL5114077 1.00 ALDH1A1 (0.47) ALDH1A1CCR5HTR2CHTR6HTR3A
SCHEMBL1037842 1.00 ALDH1A1 (0.47) ALDH1A1CCR5HTR2CHTR6HTR3A
SCHEMBL14620877 1.00 ALDH1A1 (0.47) ALDH1A1CCR5HTR2CHTR6HTR3A
SCHEMBL6426932 1.00 ALDH1A1 (0.47) ALDH1A1CCR5HTR2CHTR6HTR3A
SCHEMBL24912524 1.00 ALDH1A1 (0.47) ALDH1A1CCR5HTR2CHTR6HTR3A
SCHEMBL14772 1.00 ALDH1A1 (0.47) ALDH1A1CCR5HTR2CHTR6HTR3A
SCHEMBL1037843 1.00 ALDH1A1 (0.47) ALDH1A1CCR5HTR2CHTR6HTR3A
SCHEMBL22540086 1.00 ALDH1A1 (0.47) ALDH1A1CCR5HTR2CHTR6HTR3A
SCHEMBL12440357 1.00 ALDH1A1 (0.47) ALDH1A1CCR5HTR2CHTR6HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611777-B1 N-(4-{[PYRIDIN-3-YL-METHYL)CARBAMOYL]AMINO}BENZENE-SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA TM LLC (US) 2016-05-11 EP claimed
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2013-10-17 US claimed
US-20090023661-A1 Use of Antagonists of the Bradykinin B2 Receptor for the Treatment of Osteoarthrosis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2009-01-22 US claimed
EP-1594520-A2 USE OF BRADYKININ-B2 RECEPTOR ANTAGONISTS FOR TREATING OSTEOARTHROSIS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-16 EP claimed
US-20040248809-A1 Use of antagonists of the bradykinin B2 receptor for the treatment of osteoarthrosis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-09 US claimed
WO-2004069266-A2 USE OF BRADYKININ-B2 RECEPTOR ANTAGONISTS FOR TREATING OSTEOARTHROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-19 WO claimed
US-5648333-A POLYPEPTIDES FOR ANTIINFLAMMATORY AGENTS, WOUND HEALING AGENTS, ANTIALLERGENS OR CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-15 US claimed
EP-0370453-B1 Peptides having a Brady kinine-inhibiting activity HOECHST AG (DE) 1994-06-15 EP claimed
EP-0370453-A2 Peptides having a Brady kinine-inhibiting activity HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP claimed
US-12023338-B2 Pharmaceutical composition and treatment method for genetic disease associated with splicing abnormalities KYOTO UNIVERSITY (JP) 2024-07-02 US disclosed
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2022-03-22 US disclosed
US-11224601-B1 Compounds that inhibits MCL-1 protein AMGEN INC. (US) 2022-01-18 US disclosed
US-20210205314-A1 PHARMACEUTICAL COMPOSITION AND TREATMENT METHOD FOR GENETIC DISEASE ASSOCIATED WITH SPLICING ABNORMALITIES KYOTO UNIVERSITY (JP) 2021-07-08 US disclosed
US-10821115-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-11-03 US disclosed
EP-0370453-A2 Peptides having a Brady kinine-inhibiting activity HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP disclosed
US-4419517-A ANALGESICS E. I. DU PONT DE NEMOURS & CO. (US) 1983-12-06 US disclosed
US-4277608-A Method of preparing 4a-arylhexahydro-1H-2-pyrindines and 4a-aryloctahydroisoquinolines ELI LILLY AND COMPANY (US) 1981-07-07 US disclosed
US-4236009-A Method of preparing 4A-arylhexahydro-1H-2-pyrindines and 4A-aryloctahydroisoquinolines ELI LILLY AND COMPANY (US) 1980-11-25 US disclosed
US-4150135-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-17 US disclosed
US-4077954-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-03-07 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 (8 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-10821115-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 ALDH1A1 1575/4885CCR5 2337/4885HTR2C 4499/4885
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 ALDH1A1 511/4885CCR5 2487/4885HTR2C 2203/4885
US-20210205314-A1 PHARMACEUTICAL COMPOSITION AND TREATMENT METHOD FOR GENETIC DISEASE ASSOCIATED WITH SPLICING ABNORMALITIES RBM17, SFPQ, HNRNPAB ALDH1A1 2482/4885CCR5 4694/4885HTR2C 4435/4885
US-12023338-B2 Pharmaceutical composition and treatment method for genetic disease associated with splicing abnormalities RBM17, SFPQ, HNRNPAB ALDH1A1 2482/4885CCR5 4694/4885HTR2C 4435/4885
US-20040248809-A1 Use of antagonists of the bradykinin B2 receptor for the treatment of osteoarthrosis BDKRB2, BDKRB1, PLAT ALDH1A1 3652/4885CCR5 1367/4885HTR2C 2490/4885
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ALDH1A1 1273/4885CCR5 2459/4885HTR2C 3033/4885
US-11224601-B1 Compounds that inhibits MCL-1 protein MCL1, BCL9, BCL2L1 ALDH1A1 1452/4885CCR5 2295/4885HTR2C 4526/4885
US-20090023661-A1 Use of Antagonists of the Bradykinin B2 Receptor for the Treatment of Osteoarthrosis BDKRB2, BDKRB1, PLAT ALDH1A1 3733/4885CCR5 1366/4885HTR2C 2343/4885

“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.