SCHEMBL22647553

SCHEMBL22647553

CCOC1(CNCOC2(CN(Cc3ccccc3)Cc3ccccc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
TSHR P16473 3/20 0.35
MAPK1 P28482 1/20 0.35
OPRM1 P35372 4/20 0.33
OPRL1 P41146 3/20 0.33
BCHE P06276 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCHR1 Q99705 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MAOB P27338 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL19629908 0.75 CNR2 (0.43) CNR2TSHRMAPK1OPRM1OPRL1
SCHEMBL23675665 0.67 TSHR (0.43) TSHROPRM1OPRL1BCHENPC1
SCHEMBL17700462 0.64 ALDH1A1 (0.41) CNR2TSHRMAPK1OPRM1OPRL1
SCHEMBL15270849 0.63 CALM1 (0.42) CNR2TSHRMAPK1OPRM1OPRL1
SCHEMBL16037664 0.63 CNR2 (0.38) CNR2TSHRMAPK1OPRM1OPRL1
SCHEMBL17700363 0.62 ALDH1A1 (0.45) CNR2TSHROPRM1OPRL1ALDH1A1
SCHEMBL30814617 0.60 ALDH1A1 (0.50) CNR2TSHRMAPK1BCHEKDM4E
SCHEMBL81248 0.60 HRH3 (0.65) CNR2TSHRMAPK1OPRM1BCHE
SCHEMBL375111 0.60 KDM4E (0.68) CNR2TSHRMAPK1OPRM1BCHE
SCHEMBL13664806 0.60 CA2 (0.40) CNR2TSHROPRM1OPRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-12 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 (1 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-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 CNR2 1286/4885TSHR 3299/4885MAPK1 2287/4885

“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.