SCHEMBL22919225

SCHEMBL22919225

N#Cc1ccc(N2C3CCC2CNC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.49
OPRM1 P35372 1/20 0.46
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 2/20 0.44
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRND Q07001 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
AR P10275 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
USP14 P54578 1/20 0.36
POLB P06746 1/20 0.36

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 SCHEMBL29664633 0.98 HRH3 (0.48) HRH3OPRM1HTR2AHTR2CHTR2B
SCHEMBL24989616 0.89 HRH3 (0.46) HRH3OPRM1HTR2AHTR2CHTR2B
SCHEMBL5017575 0.81 USP14 (0.45) HRH3KDM4ETP53ARUSP14
SCHEMBL24295264 0.81 USP14 (0.45) HRH3KDM4ETP53ARUSP14
SCHEMBL26291027 0.77 AR (0.60) HRH3KDM4ETP53ARHRH2
SCHEMBL23231731 0.77 HRH3 (0.45) HRH3HTR2AHTR2CHTR2BCHRNA1
SCHEMBL23215232 0.76 HTR2A (0.42) OPRM1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL31464951 0.76 KDM4E (0.46) HRH3HTR2AHTR2CHTR2BKDM4E
SCHEMBL27424678 0.76 KDM4E (0.46) HRH3HTR2AHTR2CHTR2BKDM4E
SCHEMBL2177892 0.76 KDM4E (0.46) HRH3HTR2AHTR2CHTR2BKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230089921-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CONTINEUM THERAPEUTICS, INC. 2023-03-23 US disclosed
WO-2021071843-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS Pipeline Therapeutics, Inc. (US) 2021-04-15 WO disclosed
US-20210024495-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 US disclosed
WO-2021013830-A1 N-METHYL, N-(6-(METHOXY)PYRIDAZIN-3-YL) AMINE DERIVATIVES AS AUTOTAXIN (ATX) MODULATORS FOR THE TREATMENT OF INFLAMMATORY AIRWAY OR FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 WO 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 (2 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-20210024495-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 HRH3 815/4885OPRM1 4080/4885HTR2A 201/4885
US-20230089921-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM3 HRH3 201/4885OPRM1 41/4885HTR2A 113/4885

“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.