SCHEMBL14779792

SCHEMBL14779792

OCC1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3C(F)(F)F)C[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.41
GRIN2B Q13224 2/20 0.39
NR1H2 P55055 1/20 0.38
MGLL Q99685 2/20 0.37
TACR1 P25103 1/20 0.36
FAAH O00519 1/20 0.36
POLQ O75417 2/20 0.35
PHGDH O43175 1/20 0.35
PLA2G7 Q13093 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL14677458 0.89 NR1H2 (0.41) FFAR1NR1H2TACR1POLQPTGDR2
SCHEMBL14779870 0.89 NR1H2 (0.37) FFAR1NR1H2MGLLFAAHPOLQ
SCHEMBL14780261 0.82 FFAR1 (0.44) FFAR1NR1H2
SCHEMBL14779624 0.82 NR1H2 (0.39) FFAR1NR1H2TACR1POLQPTGDR2
SCHEMBL14779622 0.82 NR1H2 (0.39) FFAR1NR1H2TACR1POLQPTGDR2
SCHEMBL14778314 0.81 FFAR1 (0.40) FFAR1GRIN2BNR1H2MGLLFAAH
SCHEMBL14676788 0.78 RORC (0.42) FFAR1NR1H2
SCHEMBL14675868 0.76 S1PR1 (0.56) POLQ
SCHEMBL14676489 0.75 NR1H2 (0.40) FFAR1NR1H2POLQPTGDR2
SCHEMBL14779564 0.73 NR1H2 (0.39) FFAR1NR1H2POLQPTGDR2

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-8772277-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-08 US disclosed
US-20130072467-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-03-21 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-20130072467-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND ESRRA, ESRRB, ESR2 FFAR1 538/4885GRIN2B 724/4885NR1H2 16/4885

“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.