SCHEMBL3762033

SCHEMBL3762033

Cc1n[nH]c2ccnc(NCCc3c[nH]cn3)c12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 10/20 0.37
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LRRK2 Q5S007 6/20 0.34

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
SCHEMBL3775350 0.81 RAB9A (0.53) UTS2RCYP3A4CYP2D6KCNH2HTT
SCHEMBL3775019 0.79 UTS2R (0.55) UTS2RCYP3A4CYP2D6KCNH2SMN1; SMN2
SCHEMBL3768759 0.79 UTS2R (0.60) UTS2RCYP3A4CYP2D6KCNH2HTT
SCHEMBL3774942 0.77 UTS2R (0.45) UTS2RRAB9ASMN1; SMN2LRRK2
SCHEMBL3775225 0.77 LRRK2 (0.51) UTS2RHTTRAB9ASMN1; SMN2LRRK2
SCHEMBL3776613 0.76 UTS2R (0.57) UTS2RCYP3A4CYP2D6KCNH2HTT
SCHEMBL3768544 0.76 UTS2R (0.57) UTS2RCYP3A4CYP2D6KCNH2LRRK2
SCHEMBL3780547 0.76 UTS2R (0.43) UTS2RCYP3A4CYP2D6KCNH2RAB9A
SCHEMBL3780660 0.75 MEN1 (0.45) UTS2RCYP3A4CYP2D6KCNH2RAB9A
SCHEMBL3766916 0.75 SMN1; SMN2 (0.45) UTS2RCYP3A4CYP2D6HTTRAB9A

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 UTS2R 452/4885CYP3A4 128/4885CYP2D6 51/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 UTS2R 454/4885CYP3A4 126/4885CYP2D6 48/4885

“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.