SCHEMBL10186648

SCHEMBL10186648

CCCc1ccc(C)c(CNC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PABPC1 P11940 1/20 0.36
SLC2A1 P11166 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL10186643 0.91 SKP2 (0.44) MEN1KMT2ARAB9ACYP1A2CYP2D6
SCHEMBL661848 0.84 MEN1 (0.38) MEN1KMT2ARAB9ACYP1A2CYP2D6
SCHEMBL14533975 0.83 PARP1 (0.44) MEN1KMT2ARAB9AHRH3PABPC1
SCHEMBL10186620 0.83 POLB (0.41) MEN1KMT2ARAB9ACYP1A2CYP2D6
Ammonia Solution, Strong SCHEMBL1072026 0.82 MEN1 (0.38) MEN1KMT2ARAB9ACYP1A2CYP2D6
SCHEMBL663208 0.81 KDM4E (0.37) MEN1KMT2ARAB9ACYP1A2CYP2D6
SCHEMBL12138172 0.81 MAPK14 (0.36) MEN1KMT2ARAB9ACYP1A2CYP2D6
SCHEMBL19393101 0.81 HRH3 (0.36) MEN1KMT2ARAB9AHRH3PABPC1
Ammonia Solution, Strong SCHEMBL5134889 0.80 MEN1 (0.36) MEN1KMT2ARAB9ACYP1A2CYP2D6
SCHEMBL23545671 0.78 TAAR1 (0.44) MEN1KMT2ARAB9ACYP1A2CYP2D6

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 MEN1 3395/4885KMT2A 4587/4885RAB9A 205/4885

“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.