SCHEMBL5451636

SCHEMBL5451636

O=C(CCl)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
ALDH1A1 P00352 5/20 0.65
HTT P42858 3/20 0.65
PAX8 Q06710 2/20 0.65
GLA P06280 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
REN P00797 2/20 0.54
NPSR1 Q6W5P4 2/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.53
JAK2 O60674 1/20 0.51
TSHR P16473 1/20 0.50
ALOX5 P09917 1/20 0.49

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
SCHEMBL2931129 0.89 ALDH1A1 (0.66) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL2902849 0.87 NPC1 (0.62) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL8668663 0.87 NPC1 (0.53) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL8668061 0.87 NPC1 (0.53) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL4089947 0.86 NPC1 (0.56) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL27498819 0.86 NPC1 (0.60) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL8670024 0.85 RAB9A (0.51) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL2798062 0.84 REN (0.61) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL28918715 0.84 NPC1 (0.54) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL5460753 0.84 ALDH1A1 (0.54) NPC1RAB9AKMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118979385-A Clothes ironing and sizing aerosol and preparation method thereof 广东卫斯理化工科技有限公司 2024-11-19 CN disclosed
CN-118909315-A Double-degradation food packaging film and preparation method thereof 郑州市彦峰塑料包装有限公司 2024-11-08 CN disclosed
CN-118406371-A Flame-retardant material for circuit board box and preparation method thereof 中山市龙正塑料五金制品有限公司 2024-07-30 CN disclosed
CN-117966518-B Pressure-resistant anti-deformation corrugated board and preparation process thereof 东莞市益和纸制品有限公司 2024-07-09 CN disclosed
CN-117966518-A Pressure-resistant anti-deformation corrugated board and preparation process thereof 东莞市益和纸制品有限公司 2024-05-03 CN disclosed
CN-112142814-B Tauroursodeoxycholic acid derivative, and pharmaceutical composition and preparation comprising same 江苏吉贝尔药业股份有限公司 2021-09-28 CN disclosed
CN-112142814-A Tauroursodeoxycholic acid derivative, and pharmaceutical composition and preparation comprising same 江苏吉贝尔药业股份有限公司 2020-12-29 CN disclosed
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
US-6908999-B2 Hydrolysis of N,N-disubstituted (2-(4-(alpha-phenyl-p-chloro-benzyl)piperazin-1-yl)ethoxy)acetamide, to form cetirizine and salts, used as antiallergens EGIS GYOGYSZERGYAR RT. (HU) 2005-06-21 US disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 WO disclosed
EP-1233954-B1 A PROCESS FOR THE PREPARATION OF 2- 4-(ALPHA-PHENYL-P-CHLOROBENZYL)PIPERAZIN-1-YL]ETHOXY ACETIC ACID AND NOVEL INTERMEDIATES THEREFOR EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2004-10-20 EP disclosed
US-20030092911-A1 Hydrolysis in presence of phase transfer agents; antiallergens EGIS GYOGYSZERGYAR RT. (HU) 2003-05-15 US disclosed
EP-1233954-A1 A PROCESS FOR THE PREPARATION OF 2- 4-(ALPHA-PHENYL-P-CHLOROBENZYL)PIPERAZIN-1-YL]ETHOXY ACETIC ACID AND NOVEL INTERMEDIATES THEREFOR EGIS GYOGYSZERGYAR RT. (HU) 2002-08-28 EP disclosed
WO-2001040211-A1 A PROCESS FOR THE PREPARATION OF {2-[4-(α-PHENYL-p-CHLOROBENZYL)PIPERAZIN-1-YL]ETHOXY}ACETIC ACID AND NOVEL INTERMEDIATES THEREFOR EGIS Gyógyszergyár Rt. (HU) 2001-06-07 WO disclosed
EP-0226730-B1 Compounds and assay for tricyclic antidepressants ABBOTT LAB (US) 1994-03-02 EP disclosed
EP-0226730-A2 Compounds and assay for tricyclic antidepressants ABBOTT LABORATORIES (US) 1987-07-01 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 (2 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-20030092911-A1 Hydrolysis in presence of phase transfer agents; antiallergens CMA1, NAT1, CPN1 NPC1 2167/4885RAB9A 4521/4885KMT2A 906/4885
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A NPC1 608/4885RAB9A 3011/4885KMT2A 2911/4885

“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.