SCHEMBL695510

SCHEMBL695510

COCCCOc1cccc(CNC2CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
PRMT5 O14744 7/20 0.48
WDR77 Q9BQA1 7/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
KDM1A O60341 3/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL15012018 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EKDM1AMAOB
SCHEMBL9637698 0.84 ALDH1A1 (0.56) ALDH1A1PRMT5WDR77CNR1CNR2
Ammonia Solution, Strong SCHEMBL9637696 0.84 ALDH1A1 (0.59) ALDH1A1PRMT5WDR77KDM4ECYP1A2
SCHEMBL2807484 0.83 KMT2A (0.47) ALDH1A1KDM4ETSHRKDM1AMAOB
SCHEMBL663312 0.83 ALDH1A1 (0.54) ALDH1A1TSHRCARM1PRMT6POLB
SCHEMBL1040185 0.82 ALDH1A1 (0.88) ALDH1A1TSHRKDM1AMAOAMAOB
SCHEMBL89233 0.82 ALDH1A1 (0.66) ALDH1A1KDM4ETSHRCNR1CNR2
SCHEMBL4782932 0.81 ALDH1A1 (0.52) ALDH1A1PRMT5WDR77KDM4ECARM1
SCHEMBL89319 0.81 ALDH1A1 (0.49) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL15012151 0.80 MEN1 (0.42) ALDH1A1PRMT5WDR77KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085935-A2 COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-06-28 WO disclosed
US-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 WO 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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 ALDH1A1 1307/4885PRMT5 2530/4885WDR77 2948/4885

“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.