SCHEMBL4345247

SCHEMBL4345247

CC[C@@H](NCc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
SIGMAR1 Q99720 1/20 0.50
CHRM2 P08172 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ACP3 P15309 3/20 0.47
MAPT P10636 2/20 0.46
EPHX2 P34913 2/20 0.45
CASR P41180 1/20 0.45
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2190054 1.00 SMN1; SMN2 (0.61) SMN1; SMN2SIGMAR1CHRM2L3MBTL1ATM
SCHEMBL9063682 1.00 SMN1; SMN2 (0.61) SMN1; SMN2SIGMAR1CHRM2L3MBTL1ATM
Hydrochloric Acid SCHEMBL3756451 0.98 SMN1; SMN2 (0.59) SMN1; SMN2SIGMAR1CHRM2L3MBTL1ATM
SCHEMBL11883479 0.96 SMN1; SMN2 (0.56) SMN1; SMN2SIGMAR1CHRM2L3MBTL1ATM
SCHEMBL11884253 0.91 CASR (0.53) SMN1; SMN2SIGMAR1CHRM2L3MBTL1ATM
SCHEMBL8092732 0.89 SMN1; SMN2 (0.63) SMN1; SMN2SIGMAR1CHRM2L3MBTL1ATM
SCHEMBL7176511 0.88 MEN1 (0.49) SMN1; SMN2CHRM2L3MBTL1MEN1KMT2A
SCHEMBL8091287 0.88 L3MBTL1 (0.57) SMN1; SMN2CHRM2L3MBTL1ATMMEN1
SCHEMBL8092329 0.85 TDP1 (0.59) SMN1; SMN2L3MBTL1MEN1KMT2ACASR
SCHEMBL27826995 0.85 TDP1 (0.56) SMN1; SMN2CHRM2L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275779-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE KANEKA CORPORATION (JP) 2009-11-05 US disclosed
EP-1942103-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE Kaneka Corporation (JP) 2008-07-09 EP disclosed
US-5605914-A INHIBITORS OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-02-25 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-20090275779-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE SMS, SRM, ABHD5 SMN1; SMN2 2659/4885SIGMAR1 1340/4885CHRM2 2724/4885

“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.