SCHEMBL7920681

SCHEMBL7920681

Cc1ccc2c(n1)OC(C)C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
TSHR P16473 2/20 0.40
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 3/20 0.36
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PARP1 P09874 3/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 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
SCHEMBL24265737 0.81 CA1 (0.35) KDM4ETSHRHTR2AHTR2CHTR2B
SCHEMBL8255961 0.77 HTR2C (0.41) KDM4ETSHRHTR2AHTR2CHTR2B
SCHEMBL13597785 0.69 CYP1A2 (0.40) KDM4ETSHRCYP1A2RAB9ANPC1
SCHEMBL13597833 0.69 CYP1A2 (0.41) KDM4ETSHRCYP1A2RAB9ANPC1
SCHEMBL8259878 0.69 AKR1B1 (0.41) KDM4ETSHRCYP1A2MAOAMAOB
SCHEMBL7922619 0.69 BRD4 (0.38) KDM4ETSHRMAOAMAOBRAB9A
SCHEMBL15399383 0.65 RAB9A (0.45) KDM4ETSHRCYP1A2MAOAMAOB
SCHEMBL7922278 0.64 CYP1A2 (0.36) KDM4ETSHRCYP1A2RAB9ANPC1
SCHEMBL9909843 0.64 HTR2A (0.38) HTR2AHTR2CHTR2BKCNH2CYP1A2
SCHEMBL15435738 0.64 OGA (0.39) KDM4ECYP1A2RAB9ANPC1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
WO-2012074126-A9 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-06 WO disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
WO-2012074126-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 WO disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 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
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB KDM4E 1415/4885TSHR 3927/4885HTR2A 4727/4885
US-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 KDM4E 1862/4885TSHR 3431/4885HTR2A 4543/4885

“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.