SCHEMBL6989999

SCHEMBL6989999

Clc1cc(Cl)cc(C[C@@H]2CCCN2)c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ LTA4H P09960 3/20 0.43
▸ HTR2C P28335 1/20 0.42
▸ HTR6 P50406 2/20 0.40

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
SCHEMBL3644003 0.95 POLB (0.59) POLBLTA4HHTR2C
SCHEMBL10132451 0.89 POLB (0.45) POLBLTA4H
SCHEMBL3638195 0.84 POLB (0.51) POLBLTA4H
SCHEMBL3642630 0.84 POLB (0.51) POLBLTA4H
SCHEMBL6991208 0.83 POLB (0.58) POLBHTR6
SCHEMBL3160680 0.83 POLB (0.58) POLBHTR6
SCHEMBL1443794 0.81 POLB (0.61) POLBLTA4HHTR6
SCHEMBL10132295 0.81 POLB (0.61) POLBLTA4HHTR6
SCHEMBL18577442 0.81 POLB (0.61) POLBLTA4HHTR6
Hydrochloric Acid SCHEMBL7278039 0.80 POLB (0.59) POLBLTA4HHTR6

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-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 — — US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 — — US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 — — US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 — — 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-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 POLB 4687/4885LTA4H 1684/4885HTR2C 3041/4885

“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.

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