SCHEMBL8773027

SCHEMBL8773027

BNCCCCC(NC(=O)C(N)CC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.43
▸ CAPN1 P07384 6/20 0.42
▸ NTSR2 O95665 3/20 0.42
▸ NTSR1 P30989 3/20 0.42
▸ NMUR2 Q9GZQ4 2/20 0.41
▸ NMUR1 Q9HB89 2/20 0.41
▸ NRP1 O14786 1/20 0.41
▸ OPRK1 P41145 1/20 0.40
▸ CTSB P07858 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
SCHEMBL29615168 0.92 GNRHR (0.45) APLNRCAPN1NTSR2NTSR1
SCHEMBL14172897 0.92 APLNR (0.43) APLNRCAPN1NMUR2NMUR1OPRK1
SCHEMBL29383471 0.92 GNRHR (0.45) APLNRCAPN1NTSR2NTSR1
SCHEMBL30440642 0.87 OPRM1 (0.47) APLNRNMUR2NMUR1OPRK1
SCHEMBL30440639 0.87 OPRM1 (0.47) APLNRNMUR2NMUR1OPRK1
SCHEMBL29391291 0.85 GNRHR (0.47) NTSR2NTSR1OPRK1
Acetic Acid SCHEMBL30440885 0.84 OPRM1 (0.48) APLNRNMUR2NMUR1OPRK1
SCHEMBL28613560 0.83 NTSR2 (0.39) APLNRCAPN1NTSR2NTSR1NMUR2
SCHEMBL30440660 0.81 OPRM1 (0.46) NTSR2NTSR1NMUR2NMUR1OPRK1
SCHEMBL32670190 0.79 OPRK1 (0.61) NMUR2NMUR1OPRK1

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-20120129773-A1 METHODS OF TREATING AUTISM AND AUTISM SPECTRUM DISORDERS GEIER MARK R (US) 2012-05-24 — — US disclosed
US-20070254314-A1 Methods of treating autism and autism spectrum disorders GEIER, DAVID A. 2007-11-01 — — 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 (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-20070254314-A1 Methods of treating autism and autism spectrum disorders SHBG, AS3MT, CYP21A2 APLNR 542/4885CAPN1 1362/4885NTSR2 624/4885
US-20120129773-A1 METHODS OF TREATING AUTISM AND AUTISM SPECTRUM DISORDERS SHBG, AS3MT, CYP21A2 APLNR 542/4885CAPN1 1362/4885NTSR2 624/4885

“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.

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