SCHEMBL3919210

SCHEMBL3919210

NC1=NC(N)(CCN2CCCCC2)NC=C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
HRH3 Q9Y5N1 5/20 0.31
HRH4 Q9H3N8 4/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL4808962 0.98 ALOX15 (0.32) ALOX15L3MBTL1HRH3
SCHEMBL4922025 0.71 ALOX15 (0.32) ALOX15
SCHEMBL4462970 0.70 HRH3 (0.44) L3MBTL1CYP1A2CYP3A4SIGMAR1HRH3
SCHEMBL2069442 0.62
SCHEMBL15777461 0.61 HRH3 (0.44) L3MBTL1CYP1A2SIGMAR1ALDH1A1TSHR
SCHEMBL6230793 0.58 ACHE (0.40) ALOX15SIGMAR1ALDH1A1HRH3HTT
SCHEMBL23828671 0.55 HRH3 (0.69) L3MBTL1CYP1A2SIGMAR1ALDH1A1TSHR
SCHEMBL12826 0.55 HRH3 (0.69) L3MBTL1CYP1A2SIGMAR1ALDH1A1TSHR
SCHEMBL5466977 0.55 HRH3 (0.69) L3MBTL1CYP1A2SIGMAR1ALDH1A1TSHR
SCHEMBL134912 0.55 HRH3 (0.69) L3MBTL1CYP1A2SIGMAR1ALDH1A1TSHR

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-7531547-B2 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-20070049758-A1 Urogenital disorders; incotinence; analgesics; respiratory system disorders; gastrointestinal disorders; premenstrual tension ROCHE PALO ALTO LLC 2007-03-01 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-20070049758-A1 Urogenital disorders; incotinence; analgesics; respiratory system disorders; gastrointestinal disorders; premenstrual tension P2RX3, P2RX1, P2RX2 ALOX15 2806/4885L3MBTL1 3850/4885CYP1A2 261/4885

“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.