SCHEMBL7921144

SCHEMBL7921144

Cc1ccc2c(n1)NC(C)O2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
CCR1 P32246 1/20 0.32
RAB9A P51151 1/20 0.32
CCR5 P51681 1/20 0.32
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL30539262 0.72 PARP1 (0.47) NOS1NOS2
SCHEMBL7922377 0.69 MAPT (0.33) CCR1RAB9ACCR5NOS1NOS2
SCHEMBL7922272 0.64 CCR1 (0.31) CCR1CCR5NOS1NOS2
SCHEMBL7914323 0.63 BRD4 (0.50)
SCHEMBL7922389 0.61 HTR2A (0.40) CCR1RAB9ACCR5
SCHEMBL7914336 0.61 CCR1 (0.32) CCR1RAB9ACCR5
SCHEMBL7922619 0.61 BRD4 (0.38) CCR1RAB9ACCR5
SCHEMBL7923223 0.61 CCR1 (0.32) CCR1RAB9ACCR5NOS1NOS2
SCHEMBL7922411 0.60 UHRF1 (0.31)
SCHEMBL2492111 0.60 GAA (0.47) RAB9A

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 4 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
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 TAAR1 4546/4885CCR1 1872/4885RAB9A 3698/4885

“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.