SCHEMBL4471690

SCHEMBL4471690

O=C(c1ccccc1)N1CCN(Cc2ccc(-c3ccccc3Cl)cc2)CC1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.62
CA2 P00918 14/20 0.62
CA4 P22748 14/20 0.62
CA9 Q16790 14/20 0.62
ABCB1 P08183 1/20 0.49
CNR2 P34972 1/20 0.48
DPP4 P27487 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
ROCK1 Q13464 1/20 0.45

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
SCHEMBL4476835 1.00 CA1 (0.62) CA1CA2CA4CA9ABCB1
SCHEMBL4471692 1.00 CA1 (0.62) CA1CA2CA4CA9ABCB1
SCHEMBL4468592 0.88 CA1 (0.50) CA1CA2CA4CA9ABCB1
SCHEMBL4467575 0.88 CA1 (0.50) CA1CA2CA4CA9ABCB1
SCHEMBL4465014 0.88 CA1 (0.56) CA1CA2CA4CA9ABCB1
SCHEMBL4474944 0.88 DPP4 (0.50) CA1CA2CA4CA9CNR2
SCHEMBL4474947 0.88 DPP4 (0.50) CA1CA2CA4CA9CNR2
SCHEMBL4475442 0.88 DPP4 (0.50) CA1CA2CA4CA9CNR2
SCHEMBL4466251 0.87 CA1 (0.48) CA1CA2CA4CA9CNR2
SCHEMBL4466254 0.87 CA1 (0.48) CA1CA2CA4CA9CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US 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-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 CA1 3294/4885CA2 1937/4885CA4 3599/4885

“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.