SCHEMBL10105641

SCHEMBL10105641

Cc1c(Cl)ccc(C(C)C)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 5/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPA1 O75762 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
HTT P42858 1/20 0.30
MAPT P10636 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
SCHEMBL10105645 0.77 USP8 (0.33) ALDH1A1LMNAMEN1KMT2ATRPA1
SCHEMBL10120883 0.75 HSD17B10 (0.39) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL13038361 0.74 LMNA (0.39) ALDH1A1LMNAHPGDTRPA1CHRM1
SCHEMBL13437803 0.74 GABRA1 (0.48) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL12305725 0.74 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL11339660 0.74 TRPV4 (0.41) ALDH1A1KDM4ELMNAMEN1KMT2A
Ethane SCHEMBL2154081 0.73 GABRA1 (0.46) ALDH1A1KDM4ELMNAHPGDSLC6A2
SCHEMBL12992602 0.73 LMNA (0.38) ALDH1A1LMNAHPGDTRPA1CHRM1
SCHEMBL9575176 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL22251909 0.72 CYP1A2 (0.35) ALDH1A1KDM4ELMNAMEN1KMT2A

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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R ALDH1A1 1743/4885KDM4E 3379/4885LMNA 2033/4885

“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.