SCHEMBL3671755

SCHEMBL3671755

CC(C)(C(N)=O)c1ccc(C(=O)CCCCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
HSD17B3 P37058 7/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
STS P08842 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL13525526 0.86 NPC1 (0.42) MAPTNPC1RAB9AHSD17B3L3MBTL1
SCHEMBL1502488 0.86 NPC1 (0.42) MAPTKMT2ANPC1RAB9AHSD17B3
SCHEMBL2918005 0.83 HDAC1 (0.46) MAPTNPC1RAB9AHSD17B3L3MBTL1
SCHEMBL2240591 0.83 NPC1 (0.54) MAPTNPC1RAB9AHSD17B3L3MBTL1
SCHEMBL2925517 0.82 NPC1 (0.45) MAPTNPC1RAB9AHSD17B3L3MBTL1
SCHEMBL2916728 0.82 NPC1 (0.45) MAPTNPC1RAB9AHSD17B3L3MBTL1
SCHEMBL1502354 0.82 ALDH1A1 (0.43) MAPTNPC1RAB9AHSD17B3L3MBTL1
SCHEMBL3673156 0.82 NPC1 (0.40) MAPTNPC1RAB9AHSD17B3L3MBTL1
SCHEMBL4581793 0.80 NPC1 (0.48) MAPTNPC1RAB9AHSD17B3L3MBTL1
SCHEMBL2763202 0.79 NPC1 (0.42) MAPTNPC1RAB9AHSD17B3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261207-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed
EP-2261208-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed
EP-1953142-A1 Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives Aventis Inc. (US) 2008-08-06 EP disclosed
US-6777555-B2 3-(OPTIONALLY HYDROXYL)-4-(CYCLOPROPYLCARBONYL)-CUMENE INTERMEDIATE MERRELL PHARMACEUTICALS, INC. 2004-08-17 US disclosed
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS, INC. 2003-11-27 US disclosed
US-6566526-B2 Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2003-05-20 US disclosed
US-6559312-B2 Cyclopropyl phenyl ketone compound MERRELL PHARMACEUTICALS INC. 2003-05-06 US disclosed
US-6555689-B2 Antiallergy agents and bronchodilators MERRELL PHARMACEUTICALS INC. 2003-04-29 US disclosed
US-6552200-B2 Antiallergens MERRELL PHARMACEUTICALS INC. 2003-04-22 US disclosed
US-6548675-B2 1-Cyclopropylcarbonyl-2-hydroxy(optional),4-isopropylbenzene used as starting materials for 1-((2-hydroxy(optional),4-alkylphenyl)carbonylalkyl-),4-(diphenylmethyl -)piperidine derivatives; antihistamines; antiallergens; bronchodilators MERRELL PHARMACEUTICALS INC. 2003-04-15 US disclosed
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2002-01-17 US disclosed
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. 2001-10-18 US disclosed
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-13 US disclosed
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-06 US disclosed
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-08-30 US disclosed
US-6242606-B1 REACTING A A,A-DIMETHYLPHENYLACETIC ACID AMIDE WITH A W-HALO COMPOUND PRODUCES W'-HALO-A-KETO-A,A-DIMETHYLPHENYLACETIC ACID AMIDE AND REACTING IT WITH A PIPERIDINE COMPOUND; 2-(4-(4-CHLORO-BUTYRYL)-PHENYL)-2-METHY-PROPIONIC ACID MERRELL PHARMACEUTICALS INC. 2001-06-05 US disclosed
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives CHATTEM INC. 2001-03-15 US disclosed
US-6147216-A Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 2000-11-14 US disclosed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP disclosed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 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 (7 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-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MAPT 4683/4885KMT2A 1588/4885NPC1 2412/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MAPT 4467/4885KMT2A 2070/4885NPC1 2390/4885
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MAPT 4683/4885KMT2A 1588/4885NPC1 2412/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MAPT 4700/4885KMT2A 2014/4885NPC1 1689/4885
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH4, HRH3 MAPT 4723/4885KMT2A 2187/4885NPC1 1692/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MAPT 4664/4885KMT2A 2055/4885NPC1 2104/4885
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MAPT 4724/4885KMT2A 2217/4885NPC1 1740/4885

“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.