SCHEMBL7914306

SCHEMBL7914306

Cc1cnc2c(c1)CC(C)N2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.58
TSHR P16473 1/20 0.33
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
SCHEMBL21729487 1.00 NNMT (0.58) NNMTTSHRCCR1CCR5CCR8
SCHEMBL23938133 0.82 NNMT (0.41) NNMT
SCHEMBL21745578 0.82 NNMT (0.41) NNMT
SCHEMBL25820267 0.80 NNMT (0.42) NNMTCCR1CCR5CCR8NOS3
SCHEMBL20075991 0.80 NNMT (0.56) NNMTTSHR
SCHEMBL20117759 0.77 NNMT (0.54) NNMTTSHR
SCHEMBL25787861 0.74 NNMT (1.00) NNMT
SCHEMBL25427657 0.74 NNMT (1.00) NNMT
SCHEMBL12071345 0.73 NNMT (0.33) NNMT
SCHEMBL6466846 0.73 NNMT (0.39) NNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328225-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-02-28 EP disclosed
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
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 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 (3 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 NNMT 995/4885TSHR 3927/4885CCR1 1872/4885
US-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB NNMT 1159/4885TSHR 3651/4885CCR1 2213/4885
US-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 NNMT 694/4885TSHR 3431/4885CCR1 2289/4885

“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.