SCHEMBL7922902

SCHEMBL7922902

Cc1ccc2c(n1)SNC2C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
CCR1 P32246 2/20 0.32
RAB9A P51151 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 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
SCHEMBL7922274 0.69 CCR1 (0.32) CCR1RAB9ACCR5
SCHEMBL7923009 0.65 PDK2 (0.33) PDK2PDK4CCR1RAB9ACCR5
SCHEMBL7920994 0.63 CHRNB2 (0.35)
SCHEMBL7914314 0.61 CCR1 (0.32) CCR1RAB9ACCR5
SCHEMBL7914317 0.58 HTR2A (0.36) CCR1RAB9ACCR5
SCHEMBL12569457 0.56 CCR1 (0.34) PDK2PDK4CCR1RAB9ACCR5
SCHEMBL13677660 0.56 CCR1 (0.34) PDK2PDK4CCR1RAB9ACCR5
SCHEMBL24521924 0.56
SCHEMBL6845116 0.55 DRD2 (0.38) PDK2PDK4CCR1RAB9ACCR5
SCHEMBL7921152 0.55 CCR1 (0.33) CCR1RAB9ACCR5

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 PDK2 1231/4885PDK4 582/4885CCR1 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.