SCHEMBL18611866

SCHEMBL18611866

CCc1noc2cc(C(F)(F)F)ccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.52
▸ HTR3A P46098 1/20 0.41
▸ GRM4 Q14833 1/20 0.39
▸ MLYCD O95822 1/20 0.39
▸ DRD2 P14416 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ HEXA P06865 1/20 0.36
▸ HEXB P07686 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ TDO2 P48775 1/20 0.34

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
SCHEMBL18015728 0.87 EPHX2 (0.54) EPHX2GRM4MLYCDHEXAHEXB
SCHEMBL18590267 0.85 GRM4 (0.40) EPHX2GRM4MLYCDKIF11PPARG
SCHEMBL24410388 0.78 DRD2 (0.47) HTR3AGRM4DRD2HTR2AHTR7
SCHEMBL12646428 0.78 EPHX2 (0.56) EPHX2HTR3AKIF11
SCHEMBL17233224 0.76 MAPT (0.47) HTR3AGRM4RAB9A
SCHEMBL18302280 0.75 EPHX2 (0.56) EPHX2HTR3AKIF11
SCHEMBL17233427 0.75 ESR1 (0.54) —
SCHEMBL20992201 0.74 EPHX2 (0.52) EPHX2HTR3AGRM4MLYCDKIF11
SCHEMBL18014810 0.72 EPHX2 (0.55) EPHX2GRM4KIF11
SCHEMBL8371409 0.70 LMNA (0.58) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 — — 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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 EPHX2 834/4885HTR3A 492/4885GRM4 4774/4885

“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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