SCHEMBL844945

SCHEMBL844945

[c]1ccccc1CN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
CHRNA7 P36544 2/20 0.39
KDM4E B2RXH2 3/20 0.38
PRMT6 Q96LA8 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 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
SCHEMBL844842 0.98 HRH3 (0.47) HRH3ALDH1A1SLC6A3SIGMAR1MBTD1
SCHEMBL5380547 0.96 ALDH1A1 (0.39) HRH3ALDH1A1SLC6A3SIGMAR1MBTD1
SCHEMBL27645919 0.93 ALDH1A1 (0.39) HRH3ALDH1A1SLC6A3SIGMAR1MBTD1
SCHEMBL159991 0.83 ALDH1A1 (0.53) HRH3ALDH1A1SIGMAR1CYP2D6CYP2C19
SCHEMBL1449845 0.83 MC4R (0.55) ALDH1A1SIGMAR1HRH4CHRNA7KDM4E
SCHEMBL759018 0.83 SIGMAR1 (0.55) HRH3ALDH1A1SIGMAR1LMNA
SCHEMBL12076753 0.82 SLC6A3 (0.55) HRH3SLC6A3SIGMAR1MBTD1L3MBTL3
SCHEMBL4718636 0.82 HRH3 (0.38) HRH3SIGMAR1GAA
SCHEMBL27708992 0.82 ALDH1A1 (0.51) HRH3ALDH1A1SIGMAR1CYP2D6CYP2C19
SCHEMBL9367019 0.81 SIGMAR1 (0.56) HRH3SLC6A3SIGMAR1MBTD1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731954-B2 Histone demethylase inhibitors CELGENE QUANTICEL RES INC (US) 2023-08-22 US claimed
US-20210238161-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2021-08-05 US claimed
US-11001568-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2021-05-11 US claimed
US-20200157077-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-21 US claimed
EP-3397617-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2018-11-07 EP claimed
US-10059687-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-08-28 US claimed
WO-2017117154-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-07-06 WO claimed
US-20170183325-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2017-06-29 US claimed
WO-2017034377-A1 PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG-A ST CO., LTD. (KR) 2017-03-02 WO claimed
US-20170057955-A1 Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-03-02 US claimed
EP-1140871-A1 THROMBIN OR FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2001032628-A1 CYANO COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-05-10 WO claimed
WO-2001005784-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-01-25 WO claimed
EP-1058549-A1 THROMBIN OR FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-12-13 EP claimed
WO-2000039131-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO claimed
WO-2000039108-A1 THROMBIN OR FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO claimed
WO-2000039102-A1 THROMBIN OR FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO claimed
WO-2000038683-A1 THROMBIN OR FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO claimed
US-5496844-A Indole derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-03-05 US claimed
EP-0639567-A1 INDOLE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-22 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-11001568-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 HRH3 1372/4885ALDH1A1 411/4885SLC6A3 4318/4885
US-11731954-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 HRH3 1372/4885ALDH1A1 411/4885SLC6A3 4318/4885
US-20170183325-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, BMI1 HRH3 1372/4885ALDH1A1 411/4885SLC6A3 4318/4885
US-20170057955-A1 Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) KDM1B, KDM1A, KDM3B HRH3 869/4885ALDH1A1 1148/4885SLC6A3 4722/4885
US-10059687-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 HRH3 1372/4885ALDH1A1 411/4885SLC6A3 4318/4885
US-20200157077-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, BMI1 HRH3 1372/4885ALDH1A1 411/4885SLC6A3 4318/4885
US-20210238161-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, BMI1 HRH3 1372/4885ALDH1A1 411/4885SLC6A3 4318/4885

“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.