SCHEMBL14451618

SCHEMBL14451618

CC(=O)Cc1ccc(CCc2nc3ccccc3n2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.67
▸ GAA P10253 1/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ HDAC6 Q9UBN7 1/20 0.60
▸ NTRK1 P04629 14/20 0.60
▸ NTRK2 Q16620 12/20 0.60
▸ PDE10A Q9Y233 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.53
▸ RECQL P46063 1/20 0.53

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
SCHEMBL14451603 0.82 GAA (0.64) NPC1GAARAB9ASMN1; SMN2HDAC6
SCHEMBL3430125 0.80 NPC1 (1.00) NPC1GAARAB9ASMN1; SMN2HDAC6
SCHEMBL29858847 0.80 NPC1 (1.00) NPC1GAARAB9ASMN1; SMN2HDAC6
SCHEMBL14451617 0.80 NPC1 (0.68) NPC1GAARAB9ASMN1; SMN2HDAC6
SCHEMBL14451598 0.78 GAA (0.55) NPC1GAARAB9ASMN1; SMN2HDAC6
SCHEMBL14451610 0.77 NPC1 (0.57) NPC1GAARAB9ASMN1; SMN2HDAC6
SCHEMBL855333 0.76 HDAC6 (1.00) NPC1GAARAB9ASMN1; SMN2HDAC6
SCHEMBL17933571 0.75 HDAC6 (0.72) NPC1RAB9ASMN1; SMN2HDAC6ALDH1A1
SCHEMBL17050825 0.75 ALDH1A1 (0.74) NPC1GAARAB9ASMN1; SMN2HDAC6
SCHEMBL9569938 0.75 HDAC6 (0.67) NPC1GAARAB9ASMN1; SMN2HDAC6

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-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 — — 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-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE10A, PDE7A NPC1 1991/4885GAA 107/4885RAB9A 334/4885

“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.

Send feedback