SCHEMBL3587189

SCHEMBL3587189

Cc1cc(C#CC2CCCC2)ccc1C(=O)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 18/20 0.62
RAB9A P51151 17/20 0.62
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53
TP53 P04637 7/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
HPGD P15428 3/20 0.51
PKM P14618 3/20 0.51
MAPK1 P28482 1/20 0.51
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
LMNA P02545 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
SCHEMBL3585307 0.96 NPC1 (0.65) NPC1RAB9AMAPTALDH1A1CYP1A2
SCHEMBL3586531 0.87 NPC1 (0.46) NPC1RAB9AMAPTALDH1A1CYP1A2
SCHEMBL3591133 0.86 ALDH1A1 (0.48) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL13757257 0.86 RAB9A (0.59) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL13544144 0.86 NPC1 (0.45) NPC1RAB9AMAPTALDH1A1CYP1A2
SCHEMBL13544238 0.84 NPC1 (0.51) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL3582499 0.83 NPC1 (0.60) NPC1RAB9AMAPTALDH1A1TP53
SCHEMBL3593338 0.82 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1CYP1A2
SCHEMBL13544156 0.82 RAB9A (0.47) NPC1RAB9AMAPTALDH1A1CYP1A2
SCHEMBL13544138 0.82 RAB9A (0.41) NPC1RAB9AMAPTALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US claimed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 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 (2 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 NPC1 879/4885RAB9A 2452/4885MAPT 3251/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885MAPT 3268/4885

“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.