SCHEMBL5356971

SCHEMBL5356971

O=C(CCN1CCCCC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
KMT2A Q03164 6/20 1.00
GFER P55789 1/20 0.97
MAPT P10636 3/20 0.71
EGFR P00533 2/20 0.68
SIGMAR1 Q99720 1/20 0.65
LMNA P02545 2/20 0.63
MEN1 O00255 1/20 0.63
POLB P06746 1/20 0.63
HTT P42858 1/20 0.63
HTR1A P08908 2/20 0.61
TP53 P04637 1/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
L3MBTL1 Q9Y468 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
SCHEMBL10107784 1.00 ALDH1A1 (1.00) ALDH1A1KMT2AGFERMAPTEGFR
Hydrochloric Acid SCHEMBL10675086 0.98 ALDH1A1 (1.00) ALDH1A1KMT2AGFERMAPTEGFR
Hydrochloric Acid SCHEMBL29354698 0.98 ALDH1A1 (1.00) ALDH1A1KMT2AGFERMAPTEGFR
SCHEMBL10507206 0.98 ALDH1A1 (0.96) ALDH1A1KMT2AGFERMAPTEGFR
Hydrochloric Acid SCHEMBL10670221 0.96 ALDH1A1 (0.97) ALDH1A1KMT2AGFERMAPTEGFR
SCHEMBL2725965 0.95 KMT2A (0.90) ALDH1A1KMT2AGFERMAPTEGFR
SCHEMBL16026463 0.91 KMT2A (0.83) ALDH1A1KMT2AGFERMAPTSIGMAR1
SCHEMBL10603564 0.90 ALDH1A1 (0.81) ALDH1A1KMT2AGFERMAPTEGFR
SCHEMBL7645836 0.90 ALDH1A1 (0.81) ALDH1A1KMT2AGFERMAPTEGFR
Hydrochloric Acid SCHEMBL7934846 0.89 KMT2A (0.83) ALDH1A1KMT2AGFERMAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486831-A Preparation method of phenyllansoprazole impurity 1, 5-diphenyl-2- (piperidine-1-methyl) -1, 5-pentanedione hydrochloride 湖南中南制药有限责任公司 2024-02-02 CN claimed
CN-114767624-A Pharmaceutical composition containing 4-butoxy-beta-piperidyl propiophenone compound and preparation method and application thereof 南京唯创远医药科技有限公司 2022-07-22 CN claimed
CN-102030723-B Preparation method of trihexyphenidyl hydrochloride CHANGZHOU KANGPU PHARMACEUTICAL CO LTD 2012-07-04 CN claimed
CN-102030723-A Preparation method of trihexyphenidyl hydrochloride CHANGZHOU KANGPU PHARMACEUTICAL CO LTD 2011-04-27 CN claimed
CN-101311171-A Compound with dual restraining activities to acetyl cholinesterase and butyryl cholinesterase and use thereof INST MATERIA MEDICA CAMS (CN) 2008-11-26 CN claimed
US-7307091-B2 Deuterated 3-piperidinopropiophenone and medicaments containing said compounds BDD BEROLINA DRUG DEVELOPMENT GMBH (DE) 2007-12-11 US claimed
EP-1383752-B1 DEUTERATED 3-PIPERIDINOPROPIOPHENONE AND MEDICAMENTS CONTAINING SAID COMPOUNDS TURICUM DRUG DEV AG (CH) 2005-06-22 EP claimed
US-20040186136-A1 Deuterated 3-piperidinopropiophenone and medicaments containing said compounds BDD BEROLINA DRUG DEVELOPMENT GMBH (DE) 2004-09-23 US claimed
EP-1383752-A2 DEUTERATED 3-PIPERIDINOPROPIOPHENONE AND MEDICAMENTS CONTAINING SAID COMPOUNDS Turicum Drug Development AG (CH) 2004-01-28 EP claimed
WO-2002088100-A2 DEUTERATED 3-PIPERIDINOPROPIOPHENONE AND MEDICAMENTS CONTAINING SAID COMPOUNDS TURICUM DRUG DEVELOPMENT AG (CH) 2002-11-07 WO claimed
JP-6048997-A None JP disclosed
CN-117486831-A Preparation method of phenyllansoprazole impurity 1, 5-diphenyl-2- (piperidine-1-methyl) -1, 5-pentanedione hydrochloride 湖南中南制药有限责任公司 2024-02-02 CN disclosed
CN-117486831-A Preparation method of phenyllansoprazole impurity 1, 5-diphenyl-2- (piperidine-1-methyl) -1, 5-pentanedione hydrochloride 湖南中南制药有限责任公司 2024-02-02 CN disclosed
CN-114767624-A Pharmaceutical composition containing 4-butoxy-beta-piperidyl propiophenone compound and preparation method and application thereof 南京唯创远医药科技有限公司 2022-07-22 CN disclosed
CN-113214141-B 5HT2A receptor antagonists, their preparation and use 瀚远医药有限公司 2022-04-08 CN disclosed
US-5798351-A USEFUL FOR INHIBITING BONE LOSS, LOWERING SEUM CHOLESTEROL LEVELS AND TREATING HORMONE DEPENDENT MAMMALIAN BREAST AND UTERINE CANCER ELI LILLY AND COMPANY (US) 1998-08-25 US disclosed
JP-H0648997-A ANTIVIRAL AGENT SANWA KAGAKU KENKYUSHO CO LTD 1994-02-22 JP disclosed
EP-0558321-A1 Antivirally active N-cycloalkyl alkanol compounds SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-09-01 EP disclosed
US-4065565-A Acylhydrazones and anti-psychotic compositions thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-12-27 US disclosed
US-3962256-A ANALGESICS, HYPOTENSIVES, ANTIINFLAMMATORY AGENTS DELALANDE S.A. (FR) 1976-06-08 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 (1 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-20040186136-A1 Deuterated 3-piperidinopropiophenone and medicaments containing said compounds MUSK, CPT1B, PYGM ALDH1A1 1601/4885KMT2A 2621/4885GFER 4675/4885

“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.