SCHEMBL2887720

SCHEMBL2887720

CCN1C2CCCC1CC2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL5731686 1.00 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1ALDH1A1
SCHEMBL2887742 0.97 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1ALDH1A1
SCHEMBL14417896 0.94 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1ALDH1A1
SCHEMBL10226445 0.91
SCHEMBL2886274 0.86
SCHEMBL19805961 0.85 DPP4 (0.33) CHRM2CHRM4CHRM5CHRM1ALDH1A1
SCHEMBL14418048 0.80 ALDH1A1 (0.36) CHRM2CHRM4CHRM5CHRM1ALDH1A1
SCHEMBL14417879 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8231005 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL13791193 0.79 ALDH1A1 (0.33) ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116861-A1 ANTI-DLL3 ANTIBODY AND PHARMACEUTICAL USE THEREOF, AND ANTIBODY-DRUG CONJUGATE CONTAINING ANTI-DLL3 ANTIBODY 江苏恒瑞医药股份有限公司 2023-06-29 WO disclosed
WO-2023072297-A1 NITROGEN-CONTAINING TETRACYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2023-05-04 WO disclosed
WO-2022253327-A1 PREPARATION AND USE OF COMPOUND HAVING IMMUNOMODULATORY FUNCTION 上海轶诺药业有限公司 2022-12-08 WO disclosed
WO-2020160493-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF MYOPIA AERIE PHARMACEUTICALS, INC. (US) 2020-08-06 WO disclosed
WO-2017106226-A1 HYDROXYALKYLAMINE- AND HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO disclosed
WO-2017008205-A1 SUBSTITUTED AMINOQUINAZOLINE COMPOUNDS AS A2A ANTAGONIST MERCK SHARP & DOHME CORP. (US) 2017-01-19 WO disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 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 (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-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 CHRM2 89/4885CHRM4 207/4885CHRM5 134/4885
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR CHRM2 1113/4885CHRM4 1461/4885CHRM5 1148/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 CHRM2 89/4885CHRM4 207/4885CHRM5 134/4885
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 CHRM2 8/4885CHRM4 120/4885CHRM5 79/4885

“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.