SCHEMBL90414

SCHEMBL90414

CN1CCC2(CCCN2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRND Q07001 1/20 0.41
JAK3 P52333 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
ROCK1 Q13464 7/20 0.32
CDC42BPB Q9Y5S2 7/20 0.32
NAMPT P43490 1/20 0.32
ROCK2 O75116 2/20 0.31
CDC42BPA Q5VT25 2/20 0.31
DRD4 P21917 1/20 0.31
OPRM1 P35372 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL26441355 1.00 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL15382218 0.94 CHRNA1 (0.36) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL10062591 0.91 CHRNA1 (0.37) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL23865694 0.91 CHRNA1 (0.37) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL12309899 0.89
SCHEMBL708964 0.86 CHRNA1 (0.36) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL10062590 0.85 CDC42BPB (0.34) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL12958765 0.84 SIGMAR1 (0.33) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL12926362 0.84 SIGMAR1 (0.36) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL25049539 0.84 USP2 (0.33) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3556758-B1 1,2-DIHYDRO-1,6-NAPHTHYRIDIN-2-ONE DERIVATIVES AS CDK4/6 INHIBITORS CSTONE PHARMACEUTICALS SUZHOU CO LTD (CN) 2024-07-17 EP disclosed
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed
EP-4393919-A1 LSD1 MODULATORS Exscientia Al Limited (GB) 2024-07-03 EP disclosed
WO-2024123999-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. (US) 2024-06-13 WO disclosed
WO-2024123991-A1 TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. (US) 2024-06-13 WO disclosed
EP-4310084-A1 PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF Jinan University (CN) 2024-01-24 EP disclosed
WO-2024015262-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed
WO-2023220129-A1 BENZOYPARAZINE PYRAZINES ANE THEIR USES FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed
WO-2023173014-A1 KRAS INHIBITORS AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
WO-2023173016-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
US-7875722-B2 having high antibacterial activity and high safety, at high yield and in a simple manner; one-pot process DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-25 US disclosed
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-11 US disclosed
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-11 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
EP-2130827-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-12-09 EP disclosed
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 US disclosed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 US disclosed
WO-2008100565-A1 2-AMINOPYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO disclosed
EP-1930006-A1 METHOD FOR PRODUCTION OF QUINOLONE-CONTAINING LYOPHILIZED PREPARATION Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP 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 (3 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-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation NQO2, TREH, CYP51A1 CHRNB2 4748/4885CHRNA4 4585/4885CHRNA1 4479/4885
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES MCHR1, MCHR2, MC1R CHRNB2 285/4885CHRNA4 159/4885CHRNA1 48/4885
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE NQO2, QPCT, QARS1 CHRNB2 4372/4885CHRNA4 3925/4885CHRNA1 3533/4885

“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.