SCHEMBL19797772

SCHEMBL19797772

CC(C)N1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
KCNH2 Q12809 2/20 0.40
MAPT P10636 2/20 0.39
CYP2A6 P11509 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
DNMT1 P26358 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HPRT1 P00492 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 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
SCHEMBL12599451 0.79 KCNH2 (0.43) TMEM97SIGMAR1KCNH2MAPTCYP2A6
SCHEMBL811240 0.78 TSHR (0.38) TMEM97SIGMAR1KCNH2MAPTTSHR
SCHEMBL12599452 0.77 KCNH2 (0.41) TMEM97SIGMAR1KCNH2CYP2A6TSHR
SCHEMBL12426595 0.75 MEN1 (0.43) MAPTCYP2A6TSHRALDH1A1HSD17B10
SCHEMBL12599443 0.74 KCNH2 (0.39) TMEM97SIGMAR1KCNH2MAPTCYP2A6
SCHEMBL1101990 0.74 MEN1 (0.55) KCNH2MAPTTSHRALDH1A1HRH3
SCHEMBL12599442 0.73 KCNH2 (0.38) TMEM97SIGMAR1KCNH2TSHRALDH1A1
SCHEMBL12786376 0.72 DRD2 (0.47) SIGMAR1MAPTALDH1A1SLC6A4KDM4E
SCHEMBL12599382 0.72 MC4R (0.44) TMEM97SIGMAR1SLC6A4
SCHEMBL29716676 0.72 TSHR (0.52) MAPTCYP2A6TSHRALDH1A1HSD17B10

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-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS PHARMA AG (CH) 2018-01-25 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-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS MME, ACE, REN TMEM97 4605/4885SIGMAR1 2565/4885KCNH2 4105/4885

“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.