SCHEMBL14580396

SCHEMBL14580396

COc1ccc(F)cc1Cn1c(C)c(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.70
AVPR2 P30518 1/20 0.70
CYP2D6 P10635 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
OXTR P30559 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL4355333 0.93 AVPR1A (0.75) AVPR1AAVPR2CYP2D6ALDH1A1CYP3A4
SCHEMBL14580395 0.90 AVPR1A (0.73) AVPR1AAVPR2OXTRTMEM97SIGMAR1
SCHEMBL4360665 0.85 AVPR1A (0.82) AVPR1AAVPR2OXTR
SCHEMBL4362913 0.85 AVPR1A (0.82) AVPR1AAVPR2OXTR
SCHEMBL4364833 0.85 AVPR1A (0.71) AVPR1AAVPR2OXTR
SCHEMBL4359406 0.83 AVPR1A (0.84) AVPR1AAVPR2ALDH1A1TSHROXTR
SCHEMBL4355322 0.83 AVPR1A (0.80) AVPR1AAVPR2OXTR
SCHEMBL4359530 0.82 AVPR1A (1.00) AVPR1AAVPR2OXTR
SCHEMBL4357898 0.82 AVPR1A (0.85) AVPR1AAVPR2OXTR
SCHEMBL4359608 0.81 AVPR1A (0.64) AVPR1AAVPR2CYP2D6ALDH1A1OXTR

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-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 US disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 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-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885AVPR2 2/4885CYP2D6 1301/4885

“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.