SCHEMBL752388

SCHEMBL752388

CCc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KCNN4 O15554 1/20 0.32
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
AGTR1 P30556 1/20 0.31
ADORA1 P30542 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KIF11 P52732 1/20 0.30
TP53 P04637 1/20 0.30
SIRT2 Q8IXJ6 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
SCHEMBL30343520 0.87 POLB (0.32) POLBSMN1; SMN2CYP11B1CYP11B2KCNN4
SCHEMBL1121836 0.84 NOTUM (0.35) POLBSMN1; SMN2CYP11B1CYP11B2CNR2
SCHEMBL653830 0.83 CYP11B1 (0.33) POLBSMN1; SMN2CYP11B1CYP11B2KCNN4
SCHEMBL18982574 0.83 NOTUM (0.34) POLBSMN1; SMN2CYP11B1CYP11B2KCNN4
SCHEMBL6046474 0.82 KDM4E (0.35) POLBSMN1; SMN2CYP11B1CYP11B2KCNN4
SCHEMBL5603377 0.81 TRPV1 (0.42) CNR2CNR1TRPV1TSHRDAGLA
SCHEMBL12327489 0.80 DAGLA (0.35) SMN1; SMN2CYP11B1CYP11B2DAGLAKIF11
SCHEMBL8131036 0.80 DAGLA (0.32) CYP11B1CYP11B2AGTR1DAGLA
SCHEMBL5641795 0.79 CNR2 (0.38) CYP11B1CYP11B2CNR2
SCHEMBL2897339 0.79 HPGD (0.42) POLBSMN1; SMN2CNR2TRPV1LMNA

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-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 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-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 POLB 969/4885SMN1; SMN2 3865/4885CYP11B1 6/4885

“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.