SCHEMBL5155950

SCHEMBL5155950

Cc1ccc2c(c1)C(C(=O)O)CC2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.46
FABP4 P15090 11/20 0.43
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
FABP3 P05413 1/20 0.40
PIN1 Q13526 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL1843692 0.90 SIRT1 (0.53) SIRT1FABP4PTGDR2
SCHEMBL13930553 0.86 SRD5A1 (0.46) SIRT1FABP4DRD2DRD1PIN1
SCHEMBL14915975 0.85 SIRT1 (0.47) SIRT1DRD2DRD1PIN1TRPV1
SCHEMBL30799420 0.84 PIN1 (0.48) PIN1
SCHEMBL28295382 0.82 DRD2 (0.38) SIRT1DRD2DRD1PIN1TRPV1
SCHEMBL14310636 0.82 ANO1 (0.40) DRD2DRD1PIN1PTGDR2TRPV1
SCHEMBL10469026 0.79 FABP4 (0.43) FABP4FABP3PTGDR2
SCHEMBL2789968 0.79 PIN1 (0.50) FABP4FABP3PIN1
SCHEMBL29609152 0.79 PIN1 (0.50) FABP4FABP3PIN1
SCHEMBL8796023 0.79 FABP4 (0.43) FABP4DRD1FABP3

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-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 SIRT1 4210/4885FABP4 3579/4885DRD2 972/4885

“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.