SCHEMBL16839734

SCHEMBL16839734

COC(=O)CC1(NCc2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.41
TRPV3 Q8NET8 5/20 0.41
MTOR P42345 1/20 0.40
SSTR3 P32745 1/20 0.40
LSS P48449 1/20 0.40
MAPK14 Q16539 1/20 0.38
FFAR1 O14842 1/20 0.38
NAMPT P43490 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL16839732 0.97 OPRL1 (0.41) OPRL1TRPV3MTORSSTR3LSS
SCHEMBL16839822 0.89 MMP2 (0.41) OPRL1MTORLSSMAPK14PPARA
SCHEMBL16839812 0.88 PPARG (0.43) TRPV3SSTR3
SCHEMBL18025455 0.86 CD274 (0.39) OPRL1TRPV3MTORSSTR3PPARA
SCHEMBL3740630 0.85 CA12 (0.45) SSTR3
SCHEMBL16839832 0.84 PPARG (0.46) MTORLSS
SCHEMBL16839780 0.82 CYP3A4 (0.47) PPARA
SCHEMBL16839820 0.81 P2RX7 (0.43)
SCHEMBL16839850 0.81 HPGD (0.42)
SCHEMBL16839709 0.81 SMN1; SMN2 (0.42) SSTR3

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-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 OPRL1 3165/4885TRPV3 3976/4885MTOR 557/4885

“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.