SCHEMBL1076280

SCHEMBL1076280

NC(=O)CCCCN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
PAOX Q6QHF9 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL15743490 0.98 CXCR4 (0.53) CXCR4L3MBTL1PAOXHRH2HRH1
SCHEMBL613914 0.94 L3MBTL1 (0.50) CXCR4L3MBTL1HRH2HRH1LMNA
SCHEMBL28716335 0.92 L3MBTL1 (0.48) CXCR4L3MBTL1HRH2HRH1LMNA
SCHEMBL28706410 0.92 L3MBTL1 (0.48) CXCR4L3MBTL1HRH2HRH1LMNA
SCHEMBL8859810 0.89 L3MBTL1 (0.46) CXCR4L3MBTL1HRH2HRH1LMNA
SCHEMBL9978559 0.88 FAAH (0.49) CXCR4L3MBTL1PAOXHRH2HRH1
SCHEMBL1900720 0.88 L3MBTL1 (0.63) CXCR4L3MBTL1HRH2HRH1KDM4E
Hydrochloric Acid SCHEMBL8742997 0.86 L3MBTL1 (0.61) CXCR4L3MBTL1KDM4EALDH1A1SIGMAR1
SCHEMBL27793739 0.84 CYP1A2 (0.57) CXCR4PAOXHRH2HRH1LMNA
SCHEMBL5865021 0.84 CYP1A2 (0.57) CXCR4PAOXHRH2HRH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116171272-A Novel VDAC1 inhibitors 阿巴尔塞奥制药公司 2023-05-26 CN disclosed
US-9828352-B2 Phenyl carbamates and their use as inhibitors of the fatty acid amide hydrolase (FAAH) enzyme and modulators of the D3 dopamine receptor (D3DR) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-11-28 US disclosed
EP-3022179-B1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) FOND ST ITALIANO TECNOLOGIA (IT) 2017-11-15 EP disclosed
US-20160194296-A1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-07-07 US disclosed
EP-3022179-A1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) Fondazione Istituto Italiano Di Tecnologia (IT) 2016-05-25 EP disclosed
WO-2015007615-A1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO disclosed
US-20110085978-A1 NOVEL QUINOLINYLAMIDE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NEUROSEARCH A/S (DK) 2011-04-14 US disclosed
EP-2081907-B1 ARYL PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS UNIV SIENA (IT) 2011-01-26 EP disclosed
EP-2257531-A1 NOVEL QUINOLINYLAMIDE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NeuroSearch A/S (DK) 2010-12-08 EP disclosed
WO-2009112568-A1 NOVEL QUINOLINYLAMIDE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NEUROSEARCH A/S (DK) 2009-09-17 WO disclosed
US-20040116692-A1 Reductive alkylation of saturated cyclic amines MERCK SHARP & DOHME CORP. 2004-06-17 US disclosed
US-6649761-B2 Viricides such as 4-(1-(5-(5-methoxy-3-pyridinyl)-carbonyl-methylaminocarbonyl)-1-methylethyl)-2(S)-((2,2,2-trifluoro-ethyl)aminocarbonyl)-1-(allyloxycarbonyl)piperazine and salts formed by decarboxylation using acids, then purifying MERCK & CO., INC. 2003-11-18 US disclosed
US-6649761-B2 Viricides such as 4-(1-(5-(5-methoxy-3-pyridinyl)-carbonyl-methylaminocarbonyl)-1-methylethyl)-2(S)-((2,2,2-trifluoro-ethyl)aminocarbonyl)-1-(allyloxycarbonyl)piperazine and salts formed by decarboxylation using acids, then purifying MERCK & CO., INC. 2003-11-18 US disclosed
US-6649761-B2 Viricides such as 4-(1-(5-(5-methoxy-3-pyridinyl)-carbonyl-methylaminocarbonyl)-1-methylethyl)-2(S)-((2,2,2-trifluoro-ethyl)aminocarbonyl)-1-(allyloxycarbonyl)piperazine and salts formed by decarboxylation using acids, then purifying MERCK & CO., INC. 2003-11-18 US disclosed
US-20030144512-A1 Process for preparing piperazinepentaneamide HIV protease inhibitors MERCK & CO., INC. 2003-07-31 US disclosed
US-20030144512-A1 Process for preparing piperazinepentaneamide HIV protease inhibitors MERCK & CO., INC. 2003-07-31 US disclosed
US-20030144512-A1 Process for preparing piperazinepentaneamide HIV protease inhibitors MERCK & CO., INC. 2003-07-31 US disclosed
WO-2002096359-A2 PIPERAZINE PENTANAMIDE HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2002-12-05 WO disclosed
EP-0773929-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1997-05-21 EP disclosed
WO-1996039386-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 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 (3 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-20110085978-A1 NOVEL QUINOLINYLAMIDE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS HTR3A, HTR2A, HTR1A CXCR4 2664/4885L3MBTL1 1915/4885PAOX 3047/4885
US-20160194296-A1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) FAAH, FAAH2, FFAR3 CXCR4 1253/4885L3MBTL1 1662/4885PAOX 729/4885
US-20030144512-A1 Process for preparing piperazinepentaneamide HIV protease inhibitors NPEPPS, PREP, DNPEP CXCR4 3223/4885L3MBTL1 4377/4885PAOX 3012/4885

“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.