SCHEMBL14736747

SCHEMBL14736747

Cc1cccn2cc(CCN)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MAPT P10636 4/20 0.57
ALDH1A1 P00352 7/20 0.54
LMNA P02545 1/20 0.54
KDM4E B2RXH2 9/20 0.52
MAPK1 P28482 2/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 5/20 0.51
NPSR1 Q6W5P4 3/20 0.51
HPGD P15428 3/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 2/20 0.50
HTT P42858 1/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
GAA P10253 1/20 0.49
ADORA2A P29274 1/20 0.47

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
SCHEMBL7112860 0.87 RAB9A (0.60) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL29899398 0.85 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9570359 0.85 KDM4E (0.59) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL29899408 0.85 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL103116 0.81 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9570481 0.81 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL101967 0.80 RAB9A (0.53) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9570110 0.80 RAB9A (0.60) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL103671 0.80 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL12092516 0.79 RAB9A (0.62) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US claimed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US claimed
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A NPC1 2474/4885RAB9A 109/4885SMN1; SMN2 1133/4885

“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.