SCHEMBL6452945

SCHEMBL6452945

c1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.79
RAB9A P51151 1/20 0.79
LTA4H P09960 2/20 0.77
TSHR P16473 3/20 0.69
PSMB1 P20618 1/20 0.63
PSMB5 P28074 1/20 0.63
KDM4E B2RXH2 2/20 0.62
TP53 P04637 1/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP1A2 P05177 1/20 0.61
CHRM2 P08172 1/20 0.61
CHRM1 P11229 1/20 0.61
HTR2A P28223 1/20 0.61
MAPK1 P28482 1/20 0.61
SCN1A P35498 1/20 0.61

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
SCHEMBL14204567 0.98 NPC1 (0.77) NPC1RAB9ALTA4HTSHRPSMB1
Hydrochloric Acid SCHEMBL7013705 0.98 NPC1 (0.82) NPC1RAB9ALTA4HTSHRPSMB1
SCHEMBL7006505 0.91 MAPK1 (0.73) NPC1RAB9ALTA4HTSHRKDM4E
SCHEMBL7008655 0.90 TSHR (0.76) NPC1RAB9ALTA4HTSHRKDM4E
SCHEMBL11898739 0.90 NPC1 (0.97) NPC1RAB9ALTA4HPSMB1PSMB5
SCHEMBL12128299 0.88 ALDH1A1 (0.70) TSHRKDM4EALDH1A1
SCHEMBL7138464 0.88 LTA4H (1.00) NPC1RAB9ALTA4HPSMB1PSMB5
SCHEMBL1956688 0.88 LTA4H (0.79) NPC1RAB9ALTA4HKDM4E
SCHEMBL14578276 0.86 ALDH1A1 (0.69) NPC1RAB9ALTA4HTSHRKDM4E
SCHEMBL12108094 0.86 NPC1 (0.70) NPC1RAB9ALTA4HTSHRPSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594857-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP claimed
WO-2004069133-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI -CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO claimed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
EP-2870156-B1 PYRIMIDINONE DERIVATIVES AS ANTIMALARIAL AGENTS SANOFI SA (FR) 2020-06-17 EP disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
EP-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 EP disclosed
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY 2017-11-02 US disclosed
WO-2007038669-A9 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC 2008-05-29 WO disclosed
US-7183409-B2 Basic mono- and bisazo compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2007-02-27 US disclosed
US-7183409-B2 Basic mono- and bisazo compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2007-02-27 US disclosed
US-6559167-B1 Prodrugs of the pyridyl methyl sulfinyl benzimidazole type proton pump inhibitor drugs have a hydrolyzable arylsulfonyl or heteroarylsulfonyl group attached to the benzimidazole nitrogen. The prodrugs of the invention hydrolyze under REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-06 US disclosed
EP-1289985-A2 BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-12 EP disclosed
EP-1105387-B1 PRODRUGS OF PROTON PUMP INHIBITORS WINSTON PHARMATEUTICALS LLC (US) 2003-01-29 EP disclosed
EP-1240148-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II Xenova Limited (GB) 2002-09-18 EP disclosed
WO-2001087038-A2 β-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO disclosed
WO-2001046157-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II XENOVA LIMITED (GB) 2001-06-28 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 (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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 NPC1 52/4885RAB9A 1091/4885LTA4H 3661/4885
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT NPC1 161/4885RAB9A 1657/4885LTA4H 2871/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NPC1 174/4885RAB9A 1917/4885LTA4H 2984/4885
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors BMP1, BMP4, BMP2 NPC1 3037/4885RAB9A 1421/4885LTA4H 3552/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NPC1 123/4885RAB9A 1445/4885LTA4H 2761/4885

“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.