SCHEMBL1391982

SCHEMBL1391982

CC(N)c1cc2ccc(CCc3ccc4c(c3)CCO4)cc2o1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DYRK1A Q13627 1/20 0.39
KCNH2 Q12809 2/20 0.38
PTGDR Q13258 1/20 0.37
ACACB O00763 1/20 0.36
PRKCI P41743 1/20 0.36
GSK3B P49841 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
MCHR1 Q99705 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1390821 0.88 RAB9A (0.41) RAB9AMAPTTSHRHTTSMN1; SMN2
SCHEMBL15159399 0.82 RAB9A (0.35) RAB9AMAPTTSHRHTTSMN1; SMN2
SCHEMBL1390800 0.81 ACACB (0.50) RAB9AMAPTTSHRHTTSMN1; SMN2
SCHEMBL2314017 0.81 TAAR1 (0.54) MAPTTSHRHTTSMN1; SMN2
SCHEMBL1390658 0.81 SMN1; SMN2 (0.47) RAB9AMAPTTSHRHTTSMN1; SMN2
SCHEMBL1390897 0.76 BACE1 (0.36) MAPTTSHRHTTSMN1; SMN2
SCHEMBL6342201 0.76 CHRM2 (0.43) RAB9ADYRK1AKCNH2ACACBPRKCI
SCHEMBL2561330 0.73 TAAR1 (0.59) RAB9AACACBPRKCINPC1POLB
SCHEMBL29804006 0.73 TAAR1 (0.59) RAB9AACACBPRKCINPC1POLB
SCHEMBL15218149 0.73 ACACB (0.43) RAB9AKCNH2ACACBPRKCITAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 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 (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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB RAB9A 3698/4885MAPT 3578/4885TSHR 3927/4885

“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.