SCHEMBL531915

SCHEMBL531915

O=C(NC1CCCCC1)c1ccc(B(O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.66
RAB9A P51151 7/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
HPGD P15428 4/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C19 P33261 1/20 0.66
KMT2A Q03164 2/20 0.59
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
LMNA P02545 1/20 0.56
ALDH1A1 P00352 2/20 0.54
PTPN1 P18031 1/20 0.54
PTPN11 Q06124 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL384423 0.98 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL119671 0.91 RAB9A (0.59) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL20850172 0.90 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL126657 0.88 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL28928584 0.88 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL520877 0.88 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL123652 0.86 NPC1 (0.79) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL29957728 0.85 RAB9A (0.53) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL15299247 0.84 NAMPT (0.51) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL518043 0.82 NPC1 (0.74) NPC1RAB9ASMN1; SMN2HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 US disclosed
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2020-11-12 US disclosed
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2019-01-31 US disclosed
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-06-15 US disclosed
EP-2855426-B1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-01-04 EP disclosed
US-9458128-B2 Catechol O-methyltransferase activity inhibiting compounds ORION CORPORATION (FI) 2016-10-04 US disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 US disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 US disclosed
US-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-8329675-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2012-12-11 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE ADAMS JULIAN 2011-09-22 US disclosed
US-20110224171-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. 2011-09-15 US disclosed
US-20110224171-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. 2011-09-15 US disclosed
US-7947663-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 US disclosed
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 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 (10 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-20110224171-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 NPC1 570/4885RAB9A 1975/4885SMN1; SMN2 2358/4885
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT NPC1 1606/4885RAB9A 1274/4885SMN1; SMN2 1535/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT NPC1 1606/4885RAB9A 1274/4885SMN1; SMN2 1535/4885
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 NPC1 570/4885RAB9A 1975/4885SMN1; SMN2 2358/4885
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME FAAH, FAAH2, ASAH1 NPC1 483/4885RAB9A 1762/4885SMN1; SMN2 2045/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT NPC1 1606/4885RAB9A 1274/4885SMN1; SMN2 1535/4885
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 NPC1 570/4885RAB9A 1975/4885SMN1; SMN2 2358/4885
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 NPC1 3453/4885RAB9A 3651/4885SMN1; SMN2 2100/4885
US-20070208053-A1 Fused heterobicyclic kinase inhibitors MAP2K5, MAP2K7, MAP2K2 NPC1 4516/4885RAB9A 2227/4885SMN1; SMN2 3652/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT NPC1 1606/4885RAB9A 1274/4885SMN1; SMN2 1535/4885

“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.