SCHEMBL4430211

SCHEMBL4430211

COc1cncc(N2CCNCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.58
HTR2A P28223 4/20 0.58
HTR1A P08908 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HTR2B P41595 3/20 0.51
ADRB1 P08588 3/20 0.50
HTR3A P46098 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
PIM1 P11309 1/20 0.50
PIM3 Q86V86 1/20 0.50
PIM2 Q9P1W9 1/20 0.50

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 SCHEMBL26600827 0.98 HTR2C (0.57) HTR2CHTR2AHTR1AKDM4EMEN1
Hydrochloric Acid SCHEMBL11607113 0.98 HTR2C (0.57) HTR2CHTR2AHTR1AKDM4EMEN1
SCHEMBL25098488 0.84 HTR2C (0.58) HTR2CHTR2AHTR1AKDM4EMEN1
SCHEMBL30620651 0.84 HTR2C (0.58) HTR2CHTR2AHTR1AKDM4EMEN1
SCHEMBL24743300 0.81 HRH3 (0.46) HTR2CHTR2AHTR1AKDM4EMEN1
SCHEMBL24920381 0.80 CYP2C19 (0.54) KDM4EMEN1ALDH1A1CYP1A2HPGD
SCHEMBL3267723 0.79 HTR2C (0.58) HTR2CHTR2AHTR1AKDM4EMEN1
SCHEMBL3266887 0.79 HTR2C (0.62) HTR2CHTR2AHTR1AKDM4EMEN1
SCHEMBL3272331 0.79 HTR2C (0.62) HTR2CHTR2AHTR1AKDM4EMEN1
SCHEMBL7485662 0.79 PIK3CG (0.49) HTR2CHTR2AHTR1AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-04-27 US disclosed
US-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-04-27 US disclosed
EP-4105207-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2022-12-21 EP disclosed
WO-2021160087-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF 贝达药业股份有限公司 2021-08-19 WO disclosed
US-8889677-B2 Substituted triazoles useful as mGlu5 receptor modulators Boehringer Ingellheim International GmbH (DE) 2014-11-18 US disclosed
US-8889677-B2 Substituted triazoles useful as mGlu5 receptor modulators Boehringer Ingellheim International GmbH (DE) 2014-11-18 US disclosed
US-20130184248-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-20130184248-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed
EP-0376633-B1 Benzoxazepine derivatives SUNTORY LTD (JP) 1994-10-12 EP disclosed
US-5071845-A Psychotropic or anxyiolytic agent SUNTORY LIMITED (JP) 1991-12-10 US disclosed
EP-0376633-A2 Benzoxazepine derivatives SUNTORY LIMITED (JP) 1990-07-04 EP disclosed
US-4450272-A Antiatherosclerotic 1-piperazine-thicarboxamides AMERICAN CYANAMID COMPANY (US) 1984-05-22 US disclosed
EP-0094498-A2 Antiatherosclerotic 1-piperazine derivatives AMERICAN CYANAMID COMPANY (US) 1983-11-23 EP disclosed
US-4251530-A 2-{[4-(6-Substituted-2-pyrazinyl)-1-piperazinyl]alkyl}-5-substituted-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one analgesic agents MERCK & CO., INC. (US) 1981-02-17 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 (4 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 HTR2C 157/4885HTR2A 180/4885HTR1A 410/4885
US-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF EGFR, ABL1, ERBB2 HTR2C 3474/4885HTR2A 4100/4885HTR1A 3699/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 HTR2C 4620/4885HTR2A 4484/4885HTR1A 4383/4885
US-20130184248-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 HTR2C 154/4885HTR2A 128/4885HTR1A 90/4885

“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.