SCHEMBL16689591

SCHEMBL16689591

O=C(c1cc(Cl)ccc1CO)N1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.59
TRPV1 Q8NER1 3/20 0.58
TRPA1 O75762 1/20 0.58
NPSR1 Q6W5P4 2/20 0.56
RBP4 P02753 3/20 0.56
GAA P10253 1/20 0.53
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL16689561 0.88 NPSR1 (0.61) HSD11B1TRPV1NPSR1RBP4GAA
SCHEMBL16690842 0.83 RBP4 (0.72) HSD11B1TRPV1TRPA1NPSR1RBP4
SCHEMBL615807 0.80 AVPR1A (0.63) HSD11B1TRPV1TRPA1NPSR1RBP4
SCHEMBL3213011 0.76 RBP4 (0.71) HSD11B1TRPV1TRPA1RBP4GAA
SCHEMBL613046 0.75 RBP4 (0.51) HSD11B1TRPV1TRPA1NPSR1RBP4
SCHEMBL615642 0.75 AVPR1A (0.53) HSD11B1TRPV1TRPA1NPSR1RBP4
SCHEMBL16689568 0.75 RBP4 (0.69) HSD11B1TRPV1TRPA1NPSR1RBP4
SCHEMBL14895207 0.74 SMN1; SMN2 (0.66) HSD11B1TRPV1TRPA1RBP4GAA
SCHEMBL27716166 0.74 NPSR1 (0.50) HSD11B1TRPV1TRPA1NPSR1RBP4
SCHEMBL3095680 0.74 HSD11B1 (0.76) HSD11B1TRPV1TRPA1RBP4GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-10-06 US disclosed
US-9333202-B2 Non-retinoid antagonists for treatment of age-related macular degeneration and stargardt disease THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-05-10 US disclosed
US-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-05-07 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 (2 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-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT HSD11B1 1608/4885TRPV1 2322/4885TRPA1 2275/4885
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT HSD11B1 1608/4885TRPV1 2322/4885TRPA1 2275/4885

“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.