SCHEMBL2595668

SCHEMBL2595668

O=CNCCc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.55
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
HTR2A P28223 1/20 0.45
LMNA P02545 2/20 0.44
GPR84 Q9NQS5 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CNR1 P21554 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL8763412 0.89 LMNA (0.50) TAAR1CA12CA1CA2CA4
SCHEMBL11780857 0.84 TAAR1 (0.41) TAAR1CA12CA1CA2CA4
SCHEMBL8763272 0.83 LMNA (0.46) TAAR1CA12CA1CA2CA4
SCHEMBL10433880 0.79 ADH1B (0.50) CA2LMNA
SCHEMBL4364954 0.79 LMNA (0.44) LMNACYP1A2CYP2D6
SCHEMBL23266841 0.79 GFER (0.52) CA12CA1CA2CA9LMNA
SCHEMBL2701814 0.79 TMEM97 (0.55) TAAR1CA1CA2LMNA
SCHEMBL2807183 0.79 ALDH1A1 (0.50) TAAR1CA12CA1CA2CA9
SCHEMBL16404456 0.79 L3MBTL1 (0.50) TAAR1LMNAGPR84
SCHEMBL350049 0.79 TAAR1 (0.55) TAAR1CA12CA1CA2CA4

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 30 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
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis SCRIPPS RESEARCH INST (US) 2023-03-09 US disclosed
EP-3445758-B1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS SCRIPPS RESEARCH INST (US) 2020-11-04 EP 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
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
US-8871788-B2 Substituted N-alkyl and N-acyl tetrahydro-isoquinoline derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-10-28 US disclosed
EP-0832069-B1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER (US) 2003-03-05 EP disclosed
EP-1181954-A2 Biphenyl-2-carboxylic acid-tetrahydro-isoquinolin-6-yl amide derivatives, their preparation and use as inhibitors of microsomal triglyceride transfer protein and/or apolipoprotein B (ApoB) secretion PFIZER INC. (US) 2002-02-27 EP disclosed
CN-1058709-C Amide compounds for medical treatment PFIZER (US) 2000-11-22 CN disclosed
US-6121283-A Apo B-secretion/MTP inhibitory amides PFIZER INC (US) 2000-09-19 US disclosed
EP-0944602-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1999-09-29 EP disclosed
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 US disclosed
WO-1998023593-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1998-06-04 WO disclosed
EP-0832069-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1998-04-01 EP disclosed
CN-1141918-A Amide compounds for medical treatment PFIZER (US) 1997-02-05 CN disclosed
WO-1996040640-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1996-12-19 WO 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-20170035730-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS PPARG, PPARA, PPARD TAAR1 3190/4885CA12 4842/4885CA1 4859/4885
US-10016394-B2 PPARG modulators for treatment of osteoporosis PPARG, PPARA, PPARD TAAR1 3190/4885CA12 4842/4885CA1 4859/4885
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD TAAR1 3178/4885CA12 4825/4885CA1 4854/4885
US-20180369196-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD TAAR1 3178/4885CA12 4825/4885CA1 4854/4885
US-10744117-B2 PPARG modulators for the treatment of osteoporosis PPARG, PPARA, PPARD TAAR1 3178/4885CA12 4825/4885CA1 4854/4885
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD TAAR1 3178/4885CA12 4825/4885CA1 4854/4885

“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.