SCHEMBL4834727

SCHEMBL4834727

NC1CCN(Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.72
KMT2A Q03164 2/20 0.66
PKM P14618 1/20 0.59
MC4R P32245 1/20 0.58
MC5R P33032 1/20 0.58
MEN1 O00255 1/20 0.58
MCHR1 Q99705 5/20 0.56
SIGMAR1 Q99720 2/20 0.56
CHKA P35790 1/20 0.56
OPRM1 P35372 1/20 0.53
OPRL1 P41146 1/20 0.53

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
Hydrochloric Acid SCHEMBL6306233 0.98 ACHE (0.70) ACHEKMT2APKMMC4RMC5R
SCHEMBL4841995 0.91 ACHE (0.64) ACHEKMT2APKMMC4RMC5R
SCHEMBL2637536 0.91 ACHE (0.64) ACHEKMT2APKMMC4RMC5R
SCHEMBL4842070 0.91 ACHE (0.64) ACHEKMT2APKMMC4RMC5R
Trifluoroacetic Acid SCHEMBL1921350 0.87 MCHR1 (0.58) ACHEKMT2AMCHR1SIGMAR1
SCHEMBL31307777 0.86 NPC1 (0.57) ACHEKMT2AMEN1MCHR1SIGMAR1
SCHEMBL9593130 0.84 CCR3 (0.61) ACHEMCHR1
SCHEMBL6186952 0.84 HRH3 (0.69) ACHEKMT2APKMSIGMAR1
SCHEMBL27999347 0.84 KMT2A (0.89) ACHEKMT2APKMMC4RMC5R
SCHEMBL13499607 0.84 ACHE (1.00) ACHEKMT2APKMMC4RMC5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023014611-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF YEH, TENG-KUANG (US) 2023-02-09 WO disclosed
CN-113166078-A 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors 伊迪亚生物科学有限公司 2021-07-23 CN disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US disclosed
EP-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 EP disclosed
EP-1966191-B1 SUBSTITUTED PYRAZINONE DERIVATIVES AS ALPHA2C-ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-03-17 EP disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 US disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 US disclosed
US-7423030-B2 1-amino-phthalazine derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP disclosed
EP-0234098-B1 N-[piperidylaminocarbonyl]quinolinecarboxamide derivatives having psychotropic activity JOHN WYETH & BROTHER LIMITED (GB) 1992-02-26 EP disclosed
US-4985438-A PSYCHOTROPIC ACTIVITY, ANTIDEPRESSANTS JOHN WYETH & BROTHER, LIMITED (GB) 1991-01-15 US disclosed
US-4806552-A ANTIDEPRESSANTS JOHN WYETH & BROTHER, LIMITED (GB) 1989-02-21 US disclosed
US-4778802-A PSYCHOTROPIC ACTIVITY; ANTIDEPRESSANTS JOHN WYETH & BROTHER, LTD. (GB) 1988-10-18 US disclosed
US-4722930-A ANTIDEPRESSANTS JOHN WYETH AND BROTHER LIMITED (GB) 1988-02-02 US disclosed
EP-0234098-A1 N-[piperidylaminocarbonyl]quinolinecarboxamide derivatives having psychotropic activity JOHN WYETH & BROTHER LIMITED (GB) 1987-09-02 EP disclosed
US-4563466-A ANTISEROTONINE JOHN WYETH & BROTHER LIMITED (GB) 1986-01-07 US disclosed
EP-0035374-B1 PIPERIDYL - UREA, - THIOUREA AND - GUANIDINE DERIVATIVES, AND INTERMEDIATES THEREFOR, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1985-01-30 EP disclosed
US-4426387-A Piperid-4-yl ureas and thio ureas used as anti-depressant agents JOHN WYETH & BROTHER LTD. (GB) 1984-01-17 US disclosed
EP-0035374-A2 Piperidyl - urea, - thiourea and - guanidine derivatives, and intermediates therefor, processes for preparing them and pharmaceutical compositions containing the derivatives JOHN WYETH & BROTHER LIMITED (GB) 1981-09-09 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-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ADRA2C, ADRB2, ADRA2A ACHE 174/4885KMT2A 1686/4885PKM 1765/4885
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 ACHE 4091/4885KMT2A 1007/4885PKM 3496/4885

“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.