SCHEMBL3452433

SCHEMBL3452433

COc1ccc(CCCCNC(=O)CCl)cc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL11441525 0.89 SMN1; SMN2 (0.71) POLBSMN1; SMN2
SCHEMBL31036181 0.87 POLB (0.67) POLB
SCHEMBL3452625 0.81 MEN1 (0.57) SMN1; SMN2
SCHEMBL3845087 0.81 ALDH1A1 (0.68) POLBSMN1; SMN2
SCHEMBL27446239 0.80 SMN1; SMN2 (0.81) POLBSMN1; SMN2
SCHEMBL10422980 0.79 POLB (0.74) POLB
SCHEMBL9632174 0.79 POLB (0.57) POLBSMN1; SMN2
SCHEMBL17916743 0.79 RAB9A (0.69) SMN1; SMN2
SCHEMBL12773610 0.79 SMN1; SMN2 (0.75) POLBSMN1; SMN2
SCHEMBL10933092 0.79 TRPV1 (0.73) POLB

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-7820692-B2 Tetrahydro isoquinoline derivatives, preparation methods and medicinal uses thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2010-10-26 US disclosed
US-20090275607-A1 Tetrahydro isoquinoline derivatives, preparation methods and medicinal uses thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2009-11-05 US disclosed
EP-2045243-A1 TETRAHYDRO ISOQUINOLINE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF China Pharmaceutical University (CN) 2009-04-08 EP 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-20090275607-A1 Tetrahydro isoquinoline derivatives, preparation methods and medicinal uses thereof OPRK1, OPRD1, OPRL1 POLB 2194/4885SMN1; SMN2 2941/4885

“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.