SCHEMBL9281379

SCHEMBL9281379

CCCO[C@@H](C)c1ccc(F)cc1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ F2RL1 P55085 3/20 0.30
▸ GPR139 Q6DWJ6 1/20 0.30
▸ CARM1 Q86X55 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9232102 1.00 HTR2C (0.31) HTR2CHTR2BHTR2AF2RL1GPR139
SCHEMBL9234955 0.85 IDO1 (0.37) —
SCHEMBL9285532 0.85 IDO1 (0.37) —
SCHEMBL15853732 0.77 ACHE (0.31) HTR2A
SCHEMBL9229753 0.75 ESR1 (0.45) HTR2CHTR2BHTR2ATSHRMAPK1
SCHEMBL16442476 0.74 ALDH1A1 (0.36) F2RL1GPR139TSHRMAPK1
SCHEMBL9229804 0.73 SMN1; SMN2 (0.35) HTR2B
SCHEMBL18928639 0.73 TSHR (0.39) TSHRMAPK1
SCHEMBL9070614 0.72 LMNA (0.35) HTR2BTSHRKDM4E
SCHEMBL13265101 0.72 MEN1 (0.41) F2RL1

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-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 — — US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 — — 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A HTR2C 549/4885HTR2B 419/4885HTR2A 526/4885

“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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