SCHEMBL7920683

SCHEMBL7920683

Cc1ccc2c(n1)OCC2C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.40
TOP2A P11388 2/20 0.38
CCR1 P32246 2/20 0.32
RAB9A P51151 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.31
PDK2 Q15119 1/20 0.30
PDK4 Q16654 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
SCHEMBL14660897 0.79 P2RX7 (0.39) P2RX7CCR1RAB9ACCR5CCR8
SCHEMBL30456214 0.69 P2RX7 (0.44) P2RX7
SCHEMBL10297724 0.69 P2RX7 (0.44) P2RX7
SCHEMBL7916549 0.69 CCR1 (0.32) CCR1RAB9ACCR5
SCHEMBL23667335 0.65 MAP4K1 (0.40) TOP2A
SCHEMBL7923010 0.64 CYP1A2 (0.32) TOP2ACCR1CCR5CCR8
SCHEMBL12569457 0.64 CCR1 (0.34) CCR1RAB9ACCR5CCR8PDK2
SCHEMBL21933120 0.63 TOP2A (0.42) TOP2A
SCHEMBL20314793 0.63 MEN1 (0.44) TOP2A
SCHEMBL10238794 0.63 DRD2 (0.38) CCR1RAB9ACCR5CCR8PDK2

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 P2RX7 4687/4885TOP2A 3665/4885CCR1 1872/4885

“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.