SCHEMBL7920490

SCHEMBL7920490

Cc1ccc2c(n1)C(C)CN2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
CCR1 P32246 1/20 0.32
RAB9A P51151 1/20 0.32
CCR5 P51681 1/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL10072303 0.71 GSK3B (0.42) HTR2AHTR2CHTR2B
SCHEMBL7923006 0.69 HTR2C (0.33) HTR2AHTR2CHTR2BKCNH2CCR1
SCHEMBL4206621 0.68 HTR2C (0.47) HTR2AHTR2CHTR2BKCNH2
SCHEMBL7921152 0.67 CCR1 (0.33) CCR1RAB9ACCR5GAAKMT2A
SCHEMBL24138211 0.65 HTR2A (0.31) HTR2AHTR2CHTR2BKCNH2
SCHEMBL17813541 0.64 PGR (0.36) CCR1RAB9ACCR5KMT2A
SCHEMBL7922464 0.64 CCR1 (0.31) CCR1CCR5
SCHEMBL7920476 0.64 CCR1 (0.34) CCR1RAB9ACCR5GAAKMT2A
SCHEMBL12569457 0.64 CCR1 (0.34) CCR1RAB9ACCR5KMT2A
SCHEMBL21707867 0.63 CA1 (0.49) HTR2CGAAKMT2A

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 6 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-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
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 (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 HTR2A 4727/4885HTR2C 4620/4885HTR2B 4867/4885

“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.