SCHEMBL21207640

SCHEMBL21207640

CCCCC(C)(C)c1ccc(C)nc1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.38
CNR2 P34972 6/20 0.34
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
CNR1 P21554 3/20 0.31
CCR1 P32246 1/20 0.30
RAB9A P51151 1/20 0.30
CCR5 P51681 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
SCHEMBL19687626 0.93 CNR2 (0.42) SSTR4CNR2CNR1
SCHEMBL22547851 0.81 SSTR4 (0.35) SSTR4CNR2CNR1
SCHEMBL26076103 0.81 SSTR4 (0.38) SSTR4CCR1RAB9ACCR5
SCHEMBL20997665 0.77 SSTR4 (0.35) SSTR4CNR2CNR1
SCHEMBL19687547 0.77 SSTR4 (0.35) SSTR4CNR2CNR1
SCHEMBL11955219 0.72 SSTR4 (0.41) SSTR4CCR1RAB9ACCR5
SCHEMBL21719184 0.71
SCHEMBL21207697 0.70 SSTR4 (0.39) SSTR4CNR2ESR1ESR2CNR1
SCHEMBL21718469 0.69 CNR2 (0.35) CNR2ESR1ESR2CNR1
SCHEMBL3231080 0.69 SSTR4 (0.40) SSTR4CCR1RAB9ACCR5

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-10676479-B2 Imidazolepyridine compounds and uses thereof NOVARTIS AG (CH) 2020-06-09 US disclosed
US-20190233426-A1 IMIDAZOLEPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-08-01 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 (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-20190233426-A1 IMIDAZOLEPYRIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, BMI1 SSTR4 4162/4885CNR2 3705/4885ESR1 1652/4885
US-10676479-B2 Imidazolepyridine compounds and uses thereof EZH2, DOT1L, BMI1 SSTR4 4162/4885CNR2 3705/4885ESR1 1652/4885

“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.