SCHEMBL10070677

SCHEMBL10070677

CC(=O)NC1=CCC(c2ccc(C)c(Cl)c2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
DRD1 P21728 1/20 0.36
SLC6A3 Q01959 4/20 0.35
TP53 P04637 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPK1 P28482 2/20 0.35
CYP2D6 P10635 2/20 0.35
MTOR P42345 2/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35

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
SCHEMBL10050930 0.91 SLC6A2 (0.37) KMT2ASLC6A2SLC6A4DRD1SLC6A3
SCHEMBL10071233 0.91 SLC6A2 (0.37) KMT2ASLC6A2SLC6A4DRD1SLC6A3
SCHEMBL20340496 0.91 SLC6A2 (0.37) KMT2ASLC6A2SLC6A4DRD1SLC6A3
SCHEMBL331963 0.91 SLC6A2 (0.44) SMN1; SMN2KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL331962 0.91 SLC6A2 (0.44) SMN1; SMN2KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL29757853 0.91 SLC6A2 (0.44) SMN1; SMN2KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL20341083 0.91 SLC6A2 (0.44) SMN1; SMN2KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL10071232 0.81 SLC6A4 (0.37) KMT2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL15491022 0.80 SLC6A2 (0.43) SMN1; SMN2KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL20436753 0.76 SLC6A2 (0.42) SMN1; SMN2KMT2ASLC6A2SLC6A4SLC6A3

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-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2012-04-19 US disclosed
US-8097760-B2 Preparation of chiral amides and amines Sunovion Pharmacuticals Inc. (US) 2012-01-17 US disclosed
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2009-06-11 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 (2 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-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 SMN1; SMN2 1039/4885KMT2A 388/4885ALDH1A1 501/4885
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 SMN1; SMN2 1039/4885KMT2A 388/4885ALDH1A1 501/4885

“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.