SCHEMBL5098937

SCHEMBL5098937

Cc1cc(C(=O)N2CCCC2)c(C)cc1NC(=O)Cc1cc(C(=N)N)ccc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
F10 P00742 7/20 0.42
PRSS1 P07477 4/20 0.42
RAB9A P51151 2/20 0.41
F2 P00734 2/20 0.40
F7 P08709 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
DPP7 Q9UHL4 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39

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
Hydrochloric Acid SCHEMBL5093183 0.88 F10 (0.47) NPC1F10PRSS1RAB9AF2
SCHEMBL5093181 0.85 SLC6A9 (0.45) NPC1RAB9AHSD17B10MAPTALDH1A1
SCHEMBL5089062 0.82 F10 (0.48) NPC1F10PRSS1F2HPGD
Hydrochloric Acid SCHEMBL5091339 0.82 F10 (0.47) NPC1F10PRSS1F2HPGD
Hydrochloric Acid SCHEMBL6556585 0.81 F10 (0.44) NPC1F10PRSS1RAB9AF2
SCHEMBL7370559 0.80 MET (0.41) NPC1F10PRSS1RAB9AHSD17B10
SCHEMBL5094320 0.80 HSD17B10 (0.41) NPC1F10PRSS1RAB9AF2
Hydrochloric Acid SCHEMBL5098989 0.79 HSD17B10 (0.40) NPC1F10PRSS1RAB9AF2
SCHEMBL6329307 0.79 HPGD (0.40) NPC1F10PRSS1RAB9AF2
Hydrochloric Acid SCHEMBL6322311 0.78 EGFR (0.40) NPC1F10PRSS1RAB9AF2

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-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US disclosed
EP-1206446-B1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-26 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-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 NPC1 2081/4885F10 23/4885PRSS1 957/4885

“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.