SCHEMBL3816722

SCHEMBL3816722

CNCC1CCN(C(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HTR4 Q13639 3/20 0.37
KCNH2 Q12809 2/20 0.33
ADRB3 P13945 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
KDM1A O60341 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ROCK2 O75116 3/20 0.32
ROCK1 Q13464 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31

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
SCHEMBL1484874 0.88 LMNA (0.36) HRH3L3MBTL1HTR4ADRB3ALDH1A1
SCHEMBL552030 0.88 LMNA (0.36) HRH3L3MBTL1HTR4ADRB3ALDH1A1
SCHEMBL24498679 0.83 L3MBTL1 (0.37) L3MBTL1KCNH2CARM1PRMT6ROCK2
SCHEMBL24031602 0.83 L3MBTL1 (0.37) L3MBTL1HTR4KCNH2CARM1PRMT6
SCHEMBL2617741 0.81 HRH3 (0.39) HRH3HTR4KCNH2ADRB3KDM1A
SCHEMBL21101611 0.79 HRH3 (0.44) HRH3HTR4KCNH2ADRB3KDM1A
SCHEMBL23568503 0.79 HRH3 (0.43) HRH3HTR4KCNH2CARM1PRMT6
SCHEMBL26306416 0.78 HTR4 (0.38) HRH3HTR4KCNH2ADRB3ALDH1A1
SCHEMBL16017510 0.78 HRH3 (0.39) HRH3HTR4KCNH2ADRB3CACNA1I
SCHEMBL23709475 0.77 HTR4 (0.46) HRH3HTR4KCNH2ALDH1A1ROCK2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787769-B2 Inhibitors of influenza viral entry THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-10-17 US disclosed
WO-2023061263-A1 SHP2 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 北京泰德制药股份有限公司 2023-04-20 WO disclosed
US-20220267275-A1 Inhibitors of Influenza Viral Entry NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-08-25 US disclosed
WO-2020210662-A1 SMALL MOLECULES FOR CANCER THERAPY THAT REDUCE THE EXPRESSION OF TRANSCRIPTION FACTORS KLF5 AND EGR-1 THE SCRIPPS RESEARCH INSTITUTE (US) 2020-10-15 WO disclosed
EP-3647313-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Xiamen University (CN) 2020-05-06 EP disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 WO disclosed
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-8436005-B2 Macrocyclic pyrimidine derivatives ABBOTT LABORATORIES (US) 2013-05-07 US disclosed
US-8278313-B2 Macrocyclic spiro pyrimidine derivatives ABBOTT LABORATORIES (US) 2012-10-02 US disclosed
US-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-06-10 US disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 US disclosed
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives ABBOTT LABORATORIES (US) 2009-09-17 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 (6 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-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP HRH3 3555/4885L3MBTL1 1680/4885HTR4 3428/4885
US-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS PIM1, PIM3, PIM2 HRH3 1924/4885L3MBTL1 1756/4885HTR4 2750/4885
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 HRH3 1076/4885L3MBTL1 969/4885HTR4 807/4885
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives DPYD, TYMS, TYMP HRH3 4454/4885L3MBTL1 2531/4885HTR4 3636/4885
US-11787769-B2 Inhibitors of influenza viral entry NAAA, AADAC, FURIN HRH3 183/4885L3MBTL1 3062/4885HTR4 1504/4885
US-20220267275-A1 Inhibitors of Influenza Viral Entry NAAA, AADAC, FURIN HRH3 183/4885L3MBTL1 3062/4885HTR4 1504/4885

“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.