SCHEMBL1143333

SCHEMBL1143333

OCCC#Cc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
GRM5 P41594 1/20 0.39
MAPK14 Q16539 4/20 0.38
PIN1 Q13526 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ERN1 O75460 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL1142960 0.89 KDM4E (0.41) FFAR1GRM5MAPK14PIN1MEN1
SCHEMBL81509 0.83
SCHEMBL7567357 0.80 GRM5 (0.42) FFAR1GRM5PIN1ERN1CHRM2
SCHEMBL498705 0.78 DPP4 (0.49) MAPK14MEN1KMT2AALDH1A1KDM4E
SCHEMBL28663062 0.77 ADORA3 (0.45) FFAR1GRM5ERN1CHRM2CHRM1
SCHEMBL1143171 0.77 FFAR1 (0.36) FFAR1GRM5PIN1CHRM2CHRM1
SCHEMBL7063023 0.76 KCNH2 (0.47) FFAR1GRM5
SCHEMBL10452692 0.76 ERN1 (0.39) FFAR1GRM5PIN1ERN1CHRM2
SCHEMBL7575126 0.75
SCHEMBL9906390 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459560-B1 RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES MERCK SHARP & DOHME (NL) 2015-08-19 EP disclosed
EP-2459560-B1 RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES MERCK SHARP & DOHME (NL) 2015-08-19 EP disclosed
US-8431564-B2 Ring-annulated dihydropyrrolo[2,1-α]isoquinolines MERCK SHARP & DOHME B.V. (NL) 2013-04-30 US disclosed
US-8431564-B2 Ring-annulated dihydropyrrolo[2,1-α]isoquinolines MERCK SHARP & DOHME B.V. (NL) 2013-04-30 US disclosed
US-8431564-B2 Ring-annulated dihydropyrrolo[2,1-α]isoquinolines MERCK SHARP & DOHME B.V. (NL) 2013-04-30 US disclosed
US-20110028450-A1 Ring-annulated dihydropyrrolo[2,1-alpha]isoquinolines N.V. ORGANON (NL) 2011-02-03 US disclosed
US-20110028450-A1 Ring-annulated dihydropyrrolo[2,1-alpha]isoquinolines N.V. ORGANON (NL) 2011-02-03 US disclosed
US-20110028450-A1 Ring-annulated dihydropyrrolo[2,1-alpha]isoquinolines N.V. ORGANON (NL) 2011-02-03 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-20110028450-A1 Ring-annulated dihydropyrrolo[2,1-alpha]isoquinolines CATSPER1, QDPR, NASP FFAR1 2988/4885GRM5 2189/4885MAPK14 3191/4885

“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.