SCHEMBL162889

SCHEMBL162889

OCc1ccc(-c2[c]ccc(N3CCOCC3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.45
PRKDC P78527 4/20 0.42
PIK3CA P42336 6/20 0.40
PIK3CG P48736 4/20 0.40
AKT1 P31749 1/20 0.40
PIK3CD O00329 3/20 0.40
PIK3CB P42338 2/20 0.39
AGXT P21549 1/20 0.38
ACVRL1 P37023 2/20 0.38
CHKA P35790 1/20 0.38
KMO O15229 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
LGMN Q99538 1/20 0.36
ACVR1 Q04771 1/20 0.36
AR P10275 1/20 0.36
CNR2 P34972 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
SCHEMBL6073610 0.87 LGMN (0.46) PRKDCPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1716021 0.77 CHKA (0.56) MTORPIK3CAPIK3CGCHKALGMN
SCHEMBL162888 0.76 LMNA (0.44) MTORPRKDCPIK3CAPIK3CGAKT1
SCHEMBL9738792 0.75 TERT (0.41) CHKA
SCHEMBL9739967 0.73 ALDH1A1 (0.43) CHKA
SCHEMBL1639407 0.71 PRKDC (0.47) PRKDCPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL12099230 0.71 NOTUM (0.47) PRKDCPIK3CACNR2
SCHEMBL4261528 0.70 PRKDC (0.47) PRKDCPIK3CAPIK3CGPIK3CBAGXT
SCHEMBL7537112 0.70 CHKA (0.49) MTORPIK3CAAKT1CHKALGMN
SCHEMBL671148 0.70 AGXT (0.65) MTORPRKDCPIK3CAPIK3CGPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US disclosed
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-04-11 US disclosed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP disclosed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO 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 (3 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-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 MTOR 988/4885PRKDC 4311/4885PIK3CA 2497/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 MTOR 968/4885PRKDC 4199/4885PIK3CA 1631/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 MTOR 988/4885PRKDC 4311/4885PIK3CA 2497/4885

“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.