SCHEMBL1991791

SCHEMBL1991791

O=[N+]([O-])c1ccc([C@H](O)CNCCCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MARS2 Q96GW9 1/20 0.46
CYP2C19 P33261 1/20 0.46
CHRM2 P08172 1/20 0.44
ADRB2 P07550 2/20 0.43
RPLP1 P05386 1/20 0.42
RPLP0 P05388 1/20 0.42
RPS17 P08708 1/20 0.42
RPSA P08865 1/20 0.42
RPS2 P15880 1/20 0.42
RPL35A P18077 1/20 0.42
RPL7 P18124 1/20 0.42

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
SCHEMBL1991793 1.00 NPC1 (0.57) NPC1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL1681357 0.91 NPC1 (0.60) NPC1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL16796557 0.91 NPC1 (0.60) NPC1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL16796551 0.91 NPC1 (0.60) NPC1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL11884279 0.87 NPC1 (0.59) NPC1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL11742685 0.87 NPC1 (0.58) NPC1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL9660474 0.82 NPC1 (0.57) NPC1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL3780406 0.81 ALDH1A1 (0.64) NPC1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL10244237 0.80 NPC1 (0.66) NPC1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL2296310 0.80 NPC1 (0.66) NPC1ALDH1A1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 US disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 (5 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-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPC1 937/4885ALDH1A1 440/4885MEN1 1920/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPC1 937/4885ALDH1A1 440/4885MEN1 1920/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPC1 937/4885ALDH1A1 440/4885MEN1 1920/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPC1 937/4885ALDH1A1 440/4885MEN1 1920/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R NPC1 937/4885ALDH1A1 440/4885MEN1 1920/4885

“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.