SCHEMBL3764101

SCHEMBL3764101

Cc1n[nH]c2ccnc(NCCc3ccccc3F)c12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
UTS2R Q9UKP6 9/20 0.41
ALDH1A1 P00352 2/20 0.41
GPR84 Q9NQS5 1/20 0.40
LRRK2 Q5S007 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL3780660 0.86 MEN1 (0.45) TAAR1UTS2RGPR84CYP3A4CYP2D6
SCHEMBL3770440 0.84 MAPK8 (0.44) UTS2RKCNH2
SCHEMBL3768759 0.83 UTS2R (0.60) TAAR1UTS2RCYP3A4CYP2D6KCNH2
SCHEMBL3768424 0.81 UTS2R (0.44) UTS2RLRRK2CYP3A4CYP2D6KCNH2
SCHEMBL3774942 0.81 UTS2R (0.45) TAAR1UTS2RALDH1A1GPR84LRRK2
SCHEMBL3775350 0.81 RAB9A (0.53) TAAR1UTS2RALDH1A1CYP3A4CYP2D6
SCHEMBL3778794 0.81 NPC1 (0.53) UTS2RALDH1A1GPR84SMN1; SMN2
SCHEMBL3771524 0.79 UTS2R (0.45) TAAR1UTS2RGPR84ADORA3
SCHEMBL3775019 0.78 UTS2R (0.55) UTS2RALDH1A1LRRK2CYP3A4CYP2D6
SCHEMBL3766916 0.76 SMN1; SMN2 (0.45) UTS2RALDH1A1CYP3A4CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 TAAR1 188/4885UTS2R 452/4885ALDH1A1 2980/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 TAAR1 196/4885UTS2R 454/4885ALDH1A1 2975/4885

“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.