SCHEMBL19110592

SCHEMBL19110592

Cc1nn(CCc2ccccc2)c2c1CCNC2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.41
HTR2C P28335 4/20 0.40
MCHR1 Q99705 1/20 0.39
HTR2A P28223 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2B P41595 2/20 0.39
ADRB2 P07550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR3A P46098 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
SCHEMBL19110591 0.86 HTR7 (0.54) HTR7HTR2CHTR2AHTR1AHTR2B
SCHEMBL17317845 0.81 POLB (0.42) HTR7HTR2AHTR1A
Hydrochloric Acid SCHEMBL19097285 0.80 POLB (0.41) HTR7HTR2AHTR1A
SCHEMBL19110601 0.76 ALDH1A1 (0.42) HTR7HTR2CHTR2AHTR1AHTR2B
SCHEMBL19110600 0.76 HTR7 (0.43) HTR7HTR2CHTR2AHTR1AHTR2B
SCHEMBL19110587 0.75 HTR7 (0.53) HTR7HTR2CHTR2AHTR1AHTR2B
SCHEMBL19110602 0.74 CYP1A2 (0.40) HTR7HTR2CHTR2AHTR1AHTR2B
SCHEMBL19110586 0.74 SLC2A1 (0.48) HTR7
SCHEMBL19110596 0.71 BRD4 (0.33)
SCHEMBL10800194 0.71 HTR7 (0.64) HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 HTR7 755/4885HTR2C 1020/4885MCHR1 1119/4885

“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.