SCHEMBL10143901

SCHEMBL10143901

O=C(C1CC1c1ccccc1)N1CCC(c2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.67
HRH3 Q9Y5N1 11/20 0.63
BACE1 P56817 1/20 0.59
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
ADAM10 O14672 1/20 0.54
ERBB2 P04626 1/20 0.54

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
SCHEMBL10123280 0.83 SIGMAR1 (0.76) SIGMAR1HRH3
SCHEMBL870758 0.83 SIGMAR1 (0.76) SIGMAR1HRH3
SCHEMBL27481156 0.82 HRH3 (0.59) SIGMAR1HRH3BACE1ALDH1A1
SCHEMBL13015347 0.82 RAB9A (0.52) SIGMAR1BACE1NPC1TP53RAB9A
SCHEMBL12447952 0.81 RAB9A (0.61) NPC1TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12447948 0.80 CCR5 (0.61) NPC1TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12447336 0.80 CCR5 (0.61) NPC1TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17891160 0.80 RAB9A (0.63) NPC1TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20139653 0.80 RAB9A (0.63) NPC1TP53RAB9ASMN1; SMN2ALDH1A1
Methane SCHEMBL4868105 0.79 SIGMAR1 (0.67) SIGMAR1HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 SIGMAR1 4693/4885HRH3 4767/4885BACE1 2569/4885

“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.