SCHEMBL4246315

SCHEMBL4246315

CC1CN(c2ccccc2)CCN1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.57
ADRB1 P08588 5/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
MAPT P10636 2/20 0.45
BPTF Q12830 1/20 0.44
NOTUM Q6P988 1/20 0.43
BCL2A1 Q16548 2/20 0.42
CSNK1E P49674 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL4246310 1.00 KHK (0.57) KHKADRB1HTR3EHTR3BHTR3A
SCHEMBL15378488 1.00 KHK (0.57) KHKADRB1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL15819287 0.98 KHK (0.56) KHKADRB1HTR3EHTR3BHTR3A
SCHEMBL1005494 0.90 KHK (0.52) KHKADRB1HTR3EHTR3BHTR3A
SCHEMBL5268403 0.90 KHK (0.52) KHKADRB1HTR3EHTR3BHTR3A
SCHEMBL15579346 0.85 HTR7 (0.62) KHKMAPTALDH1A1CYP3A4MAPK1
SCHEMBL24123867 0.83 ADRB1 (0.58) KHKADRB1HTR3EHTR3BHTR3A
SCHEMBL28320410 0.83 SIGMAR1 (0.57) KHKADRB1HTR3EHTR3BHTR3A
SCHEMBL6786862 0.83 ADRB1 (0.58) KHKADRB1HTR3EHTR3BHTR3A
SCHEMBL2245943 0.83 ADRB1 (0.58) KHKADRB1HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736236-B Polynuclear annular organotin oxygen sulfur cluster compound and preparation method and application thereof 中国科学院福建物质结构研究所 2023-09-29 CN claimed
CN-114736236-A Polynuclear cyclic organotin-oxygen-sulfur cluster compound and preparation method and application thereof 中国科学院福建物质结构研究所 2022-07-12 CN claimed
WO-2024151809-A1 INHIBITORS OF BONE MORPHOGENETIC PROTEIN RECEPTOR TYPE 2 (BMPR2) AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2024-07-18 WO disclosed
CN-114736236-B Polynuclear annular organotin oxygen sulfur cluster compound and preparation method and application thereof 中国科学院福建物质结构研究所 2023-09-29 CN disclosed
CN-114736236-A Polynuclear cyclic organotin-oxygen-sulfur cluster compound and preparation method and application thereof 中国科学院福建物质结构研究所 2022-07-12 CN disclosed
WO-2022010537-A1 GAS41 INHIBITORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-01-13 WO disclosed
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 CN disclosed
EP-3784234-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-03-03 EP disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
WO-2014100501-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-26 WO disclosed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 US disclosed
CN-101679400-B Novel carbamoyloxy aryl alkan arylpiperazine compound, pharmaceutical compositions comprising the compound and method for treating pain, anxiety and depression by administering the compound SK HOLDINGS CO LTD 2013-04-17 CN disclosed
CN-101679400-A Novel carbamoyloxy aryl alkan arylpiperazine compound, pharmaceutical compositions comprising the compound and method for treating pain, anxiety and depression by administering the compound SK HOLDINGS CO LTD 2010-03-24 CN disclosed
EP-2060575-A1 Dihydrothienopyrimidines and their use in treating inflammatory diseases Boehringer Ingelheim International GmbH (DE) 2009-05-20 EP disclosed
US-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS CEPA SCHWARZ PHARMA, S.L. (ES) 2009-02-05 US disclosed
EP-1830854-A1 ARYLPIPERAZINE DERIVATIVES AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS Schwarz Pharma, s.l. (ES) 2007-09-12 EP disclosed
WO-2006069993-A1 ARYLPIPERAZINE DERIVATIVES AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS SCHWARZ PHARMA S.L. (ES) 2006-07-06 WO disclosed
US-6825200-B1 TREATING, PROLONGING, OR EXTENDING THE ONSET OF ORGAN REJECTION IN A HUMAN DURING OR AFTER ORGAN TRANSPLANTATION IN A HUMAN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 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 (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-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS HRH2, NPY2R, CNKSR1 KHK 2539/4885ADRB1 167/4885HTR3E 2553/4885
US-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS HTR1A, HTR5A, HTR2C KHK 4679/4885ADRB1 61/4885HTR3E 9/4885
US-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 KHK 3414/4885ADRB1 4095/4885HTR3E 661/4885

“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.