SCHEMBL3555995

SCHEMBL3555995

C[C@H](N)c1ccc(N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.59
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
PDE2A O00408 1/20 0.46
ACHE P22303 1/20 0.43
ALDH1A1 P00352 8/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 5/20 0.40
CYP3A4 P08684 4/20 0.40
TP53 P04637 3/20 0.40
HIF1A Q16665 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 3/20 0.38
ALOX15 P16050 3/20 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
SCHEMBL342044 1.00 ADRB2 (0.59) ADRB2MEN1MAPTKMT2APDE2A
SCHEMBL4208264 1.00 ADRB2 (0.59) ADRB2MEN1MAPTKMT2APDE2A
Hydrochloric Acid SCHEMBL6795220 0.97 ADRB2 (0.56) ADRB2MEN1MAPTKMT2APDE2A
Hydrochloric Acid SCHEMBL3175939 0.97 ADRB2 (0.56) ADRB2MEN1MAPTKMT2APDE2A
Hydrochloric Acid SCHEMBL6801092 0.97 ADRB2 (0.56) ADRB2MEN1MAPTKMT2APDE2A
SCHEMBL29225752 0.92 ALDH1A1 (0.55) ADRB2MEN1MAPTKMT2APDE2A
SCHEMBL29225750 0.92 ALDH1A1 (0.55) ADRB2MEN1MAPTKMT2APDE2A
SCHEMBL1314596 0.87 ADRB2 (0.72) ADRB2MAPTKMT2APDE2AALDH1A1
SCHEMBL28318549 0.86 ALDH1A1 (0.52) ADRB2MAPTPDE2AALDH1A1NPC1
SCHEMBL17540834 0.85 ADRB2 (0.70) ADRB2MEN1MAPTKMT2APDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-01-11 US disclosed
CN-114958370-B Two-dimensional chiral D-J type hybridized double perovskite crystal and preparation method and application thereof 闽都创新实验室 2024-01-02 CN disclosed
EP-3481845-B1 C17, C20, AND C21 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS INC (US) 2023-09-13 EP disclosed
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis SCRIPPS RESEARCH INST (US) 2023-03-09 US disclosed
CN-114958370-A Two-dimensional chiral D-J type hybrid double perovskite crystal and preparation method and application thereof 闽都创新实验室 2022-08-30 CN disclosed
US-10744117-B2 PPARG modulators for the treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2020-08-18 US disclosed
US-20180369196-A1 PPARG Modulators for the Treatment of Osteoporosis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-12-27 US disclosed
US-10016394-B2 PPARG modulators for treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2018-07-10 US disclosed
WO-2018013613-A1 C17, C20, AND C21 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2018-01-18 WO disclosed
US-20170035730-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2017-02-09 US disclosed
WO-2015161108-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-10-22 WO disclosed
US-8957093-B2 N-biphenylmethylindole modulators of PPARG THE SCRIPPS RESEARCH INSTITUTE (US) 2015-02-17 US disclosed
WO-2012170554-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG KAMENECKA THEODORE MARK (US) 2012-12-13 WO disclosed
US-20120309757-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE (US) 2012-12-06 US disclosed
US-20100292229-A1 TRYPHOSTIN-ANALOGS FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-18 US disclosed
US-20100292229-A1 TRYPHOSTIN-ANALOGS FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-18 US disclosed
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
WO-2008005954-A2 TRYPHOSTIN-ANALOGS FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-01-10 WO disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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 (9 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-20100292229-A1 TRYPHOSTIN-ANALOGS FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES MYC, STAT3, MYCBP ADRB2 4420/4885MEN1 1120/4885MAPT 3100/4885
US-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A ADRB2 4321/4885MEN1 885/4885MAPT 3589/4885
US-20170035730-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS PPARG, PPARA, PPARD ADRB2 354/4885MEN1 1787/4885MAPT 3261/4885
US-10016394-B2 PPARG modulators for treatment of osteoporosis PPARG, PPARA, PPARD ADRB2 354/4885MEN1 1787/4885MAPT 3261/4885
US-20120309757-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG CDK5, CDK5R1, PPARG ADRB2 1501/4885MEN1 4449/4885MAPT 3798/4885
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD ADRB2 439/4885MEN1 1461/4885MAPT 2764/4885
US-20180369196-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD ADRB2 439/4885MEN1 1461/4885MAPT 2764/4885
US-10744117-B2 PPARG modulators for the treatment of osteoporosis PPARG, PPARA, PPARD ADRB2 439/4885MEN1 1461/4885MAPT 2764/4885
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD ADRB2 439/4885MEN1 1461/4885MAPT 2764/4885

“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.