SCHEMBL20129639

SCHEMBL20129639

CC1C(=O)N(Cc2ccc(CO)cc2)CCN1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM2 Q14416 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
BRD4 O60885 1/20 0.37
ENPP2 Q13822 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL20133631 0.85 SIGMAR1 (0.49) KMT2AGRM2LMNAGAA
SCHEMBL20129626 0.74 PRMT5 (0.54) POLBCYP2D6CYP2C9CYP2C19KMT2A
Hydrochloric Acid SCHEMBL10940577 0.72 KMT2A (0.45) CACNA1GCACNA1HCACNA1IPOLBCYP2D6
SCHEMBL20129617 0.71 KMT2A (0.43) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL12451876 0.70 HDAC1 (0.66) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL9424540 0.66 PIK3CD (0.50) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL12169472 0.66 PIK3CD (0.50) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL12015723 0.66 PIK3CD (0.50) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7969208 0.66 CACNA1G (0.47) CACNA1GCACNA1HCACNA1IPOLBCYP2D6
SCHEMBL4513866 0.66 KDM4E (0.57) POLBCYP2D6CYP2C9CYP2C19KMT2A

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-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 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-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR MAPK1 845/4885CACNA1G 2237/4885CACNA1H 2450/4885

“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.