SCHEMBL21540883

SCHEMBL21540883

NCCc1cccc(-c2ccncc2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.62
PRMT6 Q96LA8 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.55
HTR7 P34969 1/20 0.51
TAAR1 Q96RJ0 6/20 0.50
MAOB P27338 4/20 0.50
HRH3 Q9Y5N1 1/20 0.50
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
CHRNA7 P36544 1/20 0.48
CYP17A1 P05093 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HTR2C P28335 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL10287586 0.89 PRKCI (0.59) PRKCIPRMT6LOXL2HTR7HRH3
SCHEMBL15244883 0.86 TAAR1 (0.63) LOXL2HTR7TAAR1MAOBDRD2
SCHEMBL301749 0.85 PRKCI (0.67) PRKCIPRMT6LOXL2TAAR1HRH3
SCHEMBL172787 0.84 TAAR1 (0.62) LOXL2HTR7TAAR1MAOBDRD2
Hydrochloric Acid SCHEMBL970902 0.83 PRKCI (0.65) PRKCIPRMT6LOXL2TAAR1HRH3
Hydrochloric Acid SCHEMBL972408 0.83 PRKCI (0.65) PRKCIPRMT6LOXL2TAAR1HRH3
Hydrochloric Acid SCHEMBL27718613 0.82 HTR7 (0.61) LOXL2HTR7TAAR1MAOBDRD2
SCHEMBL5216350 0.82 CHRNA7 (0.65) PRMT6LOXL2HTR7TAAR1DRD2
SCHEMBL15244935 0.82 TAAR1 (0.51) PRKCIHTR7TAAR1MAOBDRD2
SCHEMBL1138646 0.81 PRKCI (0.73) PRKCIPRMT6HRH3CYP17A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 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-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 PRKCI 2168/4885PRMT6 3894/4885LOXL2 3118/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 PRKCI 2388/4885PRMT6 3547/4885LOXL2 3152/4885

“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.