SCHEMBL3771308

SCHEMBL3771308

[CH2]c1ccc(CN(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.64
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
TAAR1 Q96RJ0 2/20 0.54
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
HDAC3 O15379 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
POLB P06746 1/20 0.38
BRD4 O60885 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
PYCR1 P32322 1/20 0.36
HTR7 P34969 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL659509 0.86 HRH3 (0.82) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL12679031 0.78 HRH3 (1.00) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL3242409 0.77 ALDH1A1 (0.54) HRH3ALDH1A1TSHRTAAR1PYCR1
SCHEMBL12374 0.76 HRH3 (0.67) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL10050868 0.76 HRH3 (0.67) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL28314964 0.75 HRH3 (0.58) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL3240150 0.75 PYCR1 (0.56) ALDH1A1TAAR1PYCR1
Phosphine SCHEMBL25337730 0.74 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL4868343 0.74 TSHR (0.90) HRH3ALDH1A1TSHRTAAR1CHRNB2
Hydrochloric Acid SCHEMBL21821247 0.74 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US claimed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US claimed
US-7297792-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-20 US claimed
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS GARLAND STEPHEN 2006-10-05 US claimed
US-7109199-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US claimed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US claimed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP claimed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 WO claimed
US-11827582-B2 Substituted amines as disrupters of ABETA42 oligomer formation ACELOT, INC. (US) 2023-11-28 US disclosed
WO-2021106988-A1 G9a INHIBITOR 杏林製薬株式会社 2021-06-03 WO disclosed
US-9688671-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-06-27 US disclosed
US-20160130263-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2016-05-12 US disclosed
US-8431610-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US disclosed
EP-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed
EP-0337334-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1989-10-18 EP disclosed
EP-0330925-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1989-09-06 EP disclosed
EP-0328978-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1989-08-23 EP disclosed
US-4710498-A ANTIULCER AGENTS IKEDA MOHANDO CO., LTD. (JP) 1987-12-01 US disclosed
EP-0177016-A2 Pyridyloxy derivatives Ikeda Mohando Co., Ltd. (JP) 1986-04-09 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 (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-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS ADK, PDXK, GPR119 HRH3 2866/4885ALDH1A1 462/4885TSHR 1819/4885
US-11827582-B2 Substituted amines as disrupters of ABETA42 oligomer formation APP, PSEN2, BACE1 HRH3 443/4885ALDH1A1 4062/4885TSHR 3384/4885
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 HRH3 347/4885ALDH1A1 339/4885TSHR 3192/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 HRH3 347/4885ALDH1A1 339/4885TSHR 3192/4885
US-20160130263-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO HRH3 4559/4885ALDH1A1 289/4885TSHR 1086/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP HRH3 3252/4885ALDH1A1 708/4885TSHR 1883/4885

“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.