SCHEMBL524749

SCHEMBL524749

O=C(OCc1ccccc1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP2C19 P33261 1/20 0.53
HTR2C P28335 1/20 0.48
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
GRIN2B Q13224 3/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
P2RX4 Q99571 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL523714 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2278360 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL523715 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29638307 0.89 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL18036561 0.89 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL30491181 0.89 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL17274159 0.89 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10123049 0.89 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL523989 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL523775 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218782-A1 IMAGING METHODS USING DEUTERATED COMPOUNDS GENENTECH, INC. (US) 2023-07-13 US disclosed
WO-2023121378-A1 (S)-2-(2-METHYLAZETIDIN-1-YL)PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 엘지화학 2023-06-29 WO disclosed
US-20220220128-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2022-07-14 US disclosed
EP-3901145-A1 DEUTERATED HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE SYNTHESIS OF IMAGING AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
EP-3143011-B1 DEUTERATED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IMAGING AGENTS HOFFMANN LA ROCHE (CH) 2021-03-03 EP disclosed
US-20200297875-A1 DEUTERATED COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-09-24 US disclosed
US-10675367-B2 Deuterated compounds and uses thereof GENENTECH INC. (US) 2020-06-09 US disclosed
US-20190201561-A1 DEUTERATED COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-07-04 US disclosed
US-10076581-B2 Deuterated compounds and uses thereof GENENTECH, INC. (US) 2018-09-18 US disclosed
US-20160250358-A1 DEUTERATED COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-09-01 US disclosed
EP-1385834-B1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO INC (US) 2005-09-14 EP disclosed
US-6897230-B2 Bicyclo[3/1/0] hexane containing oxazolidinone antibiotics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-05-24 US disclosed
US-20030125367-A1 Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. 2003-07-03 US disclosed
EP-0413455-B1 Azabicyclo quinolone carboxylic acids PFIZER (US) 1995-06-21 EP disclosed
US-5391763-A 3-aza-bicyclo[3.1.0]hexanes which are intermediates for anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1995-02-21 US disclosed
US-5266569-A Azatricyclo carboxylic acids useful as anti-bacterial agents PFIZER INC. (US) 1993-11-30 US disclosed
US-5229396-A Anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1993-07-20 US disclosed
US-5164402-A Bactericides PFIZER INC (US) 1992-11-17 US disclosed
WO-1991002526-A1 AZABICYCLO QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1991-03-07 WO disclosed
EP-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 EP 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 (8 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-20030125367-A1 Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof NR4A1, NR0B1, NR1D1 SMN1; SMN2 3619/4885NPC1 1715/4885RAB9A 2385/4885
US-20200297875-A1 DEUTERATED COMPOUNDS AND USES THEREOF SLC10A1, AVPR2, SLC9B2 SMN1; SMN2 2211/4885NPC1 232/4885RAB9A 151/4885
US-10076581-B2 Deuterated compounds and uses thereof SLC10A1, AVPR2, SLC9B2 SMN1; SMN2 2211/4885NPC1 232/4885RAB9A 151/4885
US-20220220128-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF RET, BRAF, ROR1 SMN1; SMN2 1122/4885NPC1 2603/4885RAB9A 311/4885
US-20190201561-A1 DEUTERATED COMPOUNDS AND USES THEREOF SLC10A1, AVPR2, SLC9B2 SMN1; SMN2 2211/4885NPC1 232/4885RAB9A 151/4885
US-20160250358-A1 DEUTERATED COMPOUNDS AND USES THEREOF SLC10A1, AVPR2, SLC9B2 SMN1; SMN2 2211/4885NPC1 232/4885RAB9A 151/4885
US-10675367-B2 Deuterated compounds and uses thereof SLC10A1, AVPR2, SLC9B2 SMN1; SMN2 2211/4885NPC1 232/4885RAB9A 151/4885
US-20230218782-A1 IMAGING METHODS USING DEUTERATED COMPOUNDS SLC10A1, SLC9B2, RXFP1 SMN1; SMN2 1494/4885NPC1 66/4885RAB9A 130/4885

“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.