SCHEMBL10120701

SCHEMBL10120701

OC1CC2COC[C@@H](C1)N2CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.34
IDH1 O75874 2/20 0.31
LMNA P02545 1/20 0.30
CYP2C9 P11712 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
SCHEMBL10106316 1.00 HTR3A (0.34) HTR3AIDH1LMNACYP2C9
SCHEMBL7809720 0.82 LMNA (0.43) LMNACYP2C9
SCHEMBL7809722 0.82 LMNA (0.43) LMNACYP2C9
SCHEMBL16082476 0.81 HTR3A (0.34) HTR3A
SCHEMBL18017 0.74 LMNA (0.38) LMNACYP2C9
SCHEMBL16389219 0.73 HTR3A (0.30) HTR3A
SCHEMBL19388940 0.71 HTR3A (0.32) HTR3A
SCHEMBL15421001 0.68 CHRM2 (0.57) LMNA
SCHEMBL22777402 0.68 CHRM2 (0.57) LMNA
SCHEMBL10120550 0.68 CHRM2 (0.57) LMNA

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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R HTR3A 137/4885IDH1 2270/4885LMNA 2033/4885

“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.