SCHEMBL10177017

SCHEMBL10177017

CCCn1c(CCNC(=O)OC(C)(C)C)nc2ccc(Br)cc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GFER P55789 1/20 0.43
GNRHR P30968 1/20 0.42
PPARG P37231 1/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.41
MC4R P32245 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL10176988 0.92 GNRHR (0.48) NPC1SMN1; SMN2ALDH1A1GFERGNRHR
SCHEMBL418842 0.92 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1GFERGNRHRPPARG
SCHEMBL421355 0.84 GNRHR (0.48) SMN1; SMN2ALDH1A1GFERGNRHRPPARG
SCHEMBL421179 0.82 GNRHR (0.43) NPC1SMN1; SMN2GNRHRMAPTTP53
SCHEMBL12634807 0.81 ACSS2 (0.46) SMN1; SMN2GFERPPARGPOLBL3MBTL1
SCHEMBL13259056 0.80 ALDH1A1 (0.43) NPC1SMN1; SMN2ALDH1A1GFERGNRHR
SCHEMBL11388072 0.80 BRD4 (0.51) SMN1; SMN2ALDH1A1GFERGNRHRMAPT
SCHEMBL28230791 0.79 SMN1; SMN2 (0.66) NPC1SMN1; SMN2MAPTL3MBTL1TP53
SCHEMBL1183031 0.78 SCD (0.44) ALDH1A1
SCHEMBL6896313 0.78 GNRHR (0.47) ALDH1A1GFERGNRHRPPARGTP53

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-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 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-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 NPC1 1876/4885SMN1; SMN2 991/4885ALDH1A1 2598/4885

“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.