SCHEMBL10193457

SCHEMBL10193457

CCn1c(-c2ccc(OCCNC(C)=O)cc2)c(C#N)c2ccc(C)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
MMP3 P08254 1/20 0.43
ALDH1A1 P00352 1/20 0.42
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALK Q9UM73 1/20 0.41
ACSS2 Q9NR19 1/20 0.41
NPC1 O15118 2/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL14467739 0.91 ESR1 (0.44) MTNR1AMTNR1BMMP3ALDH1A1USP2
SCHEMBL982397 0.91 MTNR1A (0.50) MTNR1AMTNR1BMMP3ALDH1A1USP2
SCHEMBL10193458 0.91 MMP3 (0.46) MMP3ALDH1A1MAPK1NPC1L3MBTL1
SCHEMBL10193447 0.86 GRIK2 (0.42) ALDH1A1MAPK1PRKAB2PRKAG1PRKAA2
SCHEMBL10193460 0.85 GRIK2 (0.37) MMP3ALDH1A1MAPK1L3MBTL1ESR1
SCHEMBL10193451 0.85 ALDH1A1 (0.42) ALDH1A1TSHRALKNPC1ESR1
SCHEMBL10193465 0.83 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1
SCHEMBL10193452 0.83 GRIK2 (0.41) ALDH1A1ALKL3MBTL1LMNAESR1
SCHEMBL10193446 0.83 GRIK2 (0.41) ALDH1A1MAPK1L3MBTL1LMNAESR1
SCHEMBL10193441 0.83 GRIK2 (0.44) ALDH1A1L3MBTL1LMNAESR1

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS MTNR1A 1243/4885MTNR1B 1364/4885MMP3 989/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MTNR1A 555/4885MTNR1B 489/4885MMP3 696/4885

“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.