SCHEMBL3100605

SCHEMBL3100605

[CH2]N1CCCC(OCC)C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.32
VNN1 O95497 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL3108505 0.85 TAAR1 (0.42) CHRM2CHRM1CHRM3NPC1TAAR1
SCHEMBL22597884 0.80 VNN1 (0.32) VNN1CHRM2CHRM1CHRM3NPC1
SCHEMBL12885030 0.78 SMN1; SMN2 (0.49) CHRM2CHRM1CHRM3NPC1SMN1; SMN2
SCHEMBL2606122 0.78 SMN1; SMN2 (0.49) CHRM2CHRM1CHRM3NPC1SMN1; SMN2
SCHEMBL12885025 0.78 SMN1; SMN2 (0.49) CHRM2CHRM1CHRM3NPC1SMN1; SMN2
SCHEMBL771441 0.77 SIGMAR1 (0.35) NPC1
SCHEMBL19951600 0.77
SCHEMBL356232 0.77
SCHEMBL12464725 0.76 CYP3A4 (0.44) CHRM2CHRM1CHRM3NPC1
SCHEMBL20284617 0.76 FFAR2 (0.32) FFAR2VNN1CHRM2CHRM1CHRM3

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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 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 (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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 FFAR2 3453/4885VNN1 2951/4885CHRM2 3715/4885

“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.