SCHEMBL7248573

SCHEMBL7248573

COC(=O)C1CNCCc2c1[nH]c1ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.52
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
MAPKAPK2 P49137 2/20 0.51
CCKBR P32239 2/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
PDE5A O76074 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL274285 0.87 KDM4E (0.54) SIRT1KDM4EHSD17B10HTTMAPKAPK2
SCHEMBL279185 0.86 SIRT1 (0.53) SIRT1KDM4EHSD17B10TSHRHTT
SCHEMBL10278388 0.84 MAPKAPK2 (0.63) SIRT1KDM4ETSHRMAPKAPK2SIRT2
SCHEMBL11393500 0.83 MAPT (0.57) SIRT1KDM4EHSD17B10TSHRHTT
SCHEMBL275311 0.83 SIRT1 (0.71) SIRT1KDM4EMAPKAPK2SIRT2CYP2D6
SCHEMBL11496260 0.82 CYP19A1 (0.48) SIRT1KDM4EHSD17B10MAPKAPK2SIRT2
SCHEMBL10042239 0.81 KDM4E (0.66) SIRT1KDM4EHSD17B10TSHRHTT
SCHEMBL26805917 0.81 SIRT1 (0.64) SIRT1KDM4EHSD17B10TSHRHTT
SCHEMBL1491406 0.80 MAPKAPK2 (0.71) KDM4EHSD17B10TSHRHTTMAPKAPK2
Hydrochloric Acid SCHEMBL28201946 0.79 MAPKAPK2 (0.70) KDM4EHSD17B10TSHRHTTMAPKAPK2

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-12116372-B1 Process for preparing methyl 3-bromo-2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propanoate BOULANGER WILLIAM ALLEN (US) 2024-10-15 US disclosed
US-20240140956-A1 Novel Pharmaceutical Intermediates and Methods for Preparing the Same BOULANGER WILLIAM ALLEN (US) 2024-05-02 US disclosed
US-11827643-B2 Pharmaceutical intermediates and methods for preparing the same OBITER RESEARCH, LLC (US) 2023-11-28 US disclosed
US-11827643-B2 Pharmaceutical intermediates and methods for preparing the same OBITER RESEARCH, LLC (US) 2023-11-28 US disclosed
US-20210115056-A1 Pharmaceutical Intermediates and Methods for Preparing the Same BOULANGER, WILLIAM ALLEN 2021-04-22 US disclosed
US-10906912-B2 Pharmaceutical intermediates and methods for preparing the same KING T, LLC (US) 2021-02-02 US disclosed
US-20190276464-A1 Novel Pharmaceutical Intermediates and Methods for Preparing the Same BOULANGER WILLIAM ALLEN (US) 2019-09-12 US disclosed
US-9399642-B2 Pharmaceutical intermediates and methods for preparing the same BOULANGER, WILLIAM ALLEN 2016-07-26 US disclosed
US-9399643-B2 Pharmaceutical intermediates and methods for preparing the same BOULANGER, WILLIAM ALLEN 2016-07-26 US disclosed
US-20140213782-A1 Novel Pharmaceutical Intermediates and Methods for Preparing the Same BOULANGER, WILLIAM ALLEN 2014-07-31 US disclosed
US-20140213797-A1 Novel Pharmaceutical Intermediates and Methods for Preparing the Same BOULANGER, WILLIAM ALLEN 2014-07-31 US disclosed
US-20130178618-A1 NOVEL PHARMACEUTICAL INTERMEDIATES AND METHODS FOR PREPARING THE SAME KING T, LLC 2013-07-11 US disclosed
US-20030095958-A1 Inhibitors of bace VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US disclosed
US-5095109-A Antitumor UNIVERSITY OF VERMONT (US) 1992-03-10 US disclosed
WO-1990015061-A1 NOVEL ALKALOIDS THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 1990-12-13 WO disclosed
US-4935509-A ANTITUMOR AGENTS UNIVERSITY OF VERMONT (US) 1990-06-19 US disclosed
US-4897477-A ANTITUMOR ALKALOIDS UNIVERSITY OF VERMONT & STATE AGRICULTURAL COLLEGE (US) 1990-01-30 US disclosed
US-4841045-A ANTITUMOR AGENTS UNIVERSITY OF VERMONT & STATE AGRICULTURAL COLLEGE (US) 1989-06-20 US disclosed
EP-0215058-A1 SYNTHESIS OF VINBLASTINE AND VINCRISTINE TYPE COMPOUNDS THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 1987-03-25 EP disclosed
WO-1986005491-A1 SYNTHESIS OF VINBLASTINE AND VINCRISTINE TYPE COMPOUNDS THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL C (US) 1986-09-25 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 (10 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-20030095958-A1 Inhibitors of bace BACE2, BACE1, APP SIRT1 3077/4885KDM4E 1717/4885HSD17B10 2068/4885
US-20140213797-A1 Novel Pharmaceutical Intermediates and Methods for Preparing the Same CYP3A7, CYP2C8, CNR2 SIRT1 690/4885KDM4E 2209/4885HSD17B10 478/4885
US-20190276464-A1 Novel Pharmaceutical Intermediates and Methods for Preparing the Same CYP3A7, CYP2C8, CNR2 SIRT1 690/4885KDM4E 2209/4885HSD17B10 478/4885
US-20210115056-A1 Pharmaceutical Intermediates and Methods for Preparing the Same CYP3A7, CYP2C8, CYP2C19 SIRT1 797/4885KDM4E 1668/4885HSD17B10 588/4885
US-12116372-B1 Process for preparing methyl 3-bromo-2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propanoate TET3, HTR3A, KMO SIRT1 3372/4885KDM4E 129/4885HSD17B10 1693/4885
US-20130178618-A1 NOVEL PHARMACEUTICAL INTERMEDIATES AND METHODS FOR PREPARING THE SAME CYP3A7, CYP2C8, CNR2 SIRT1 690/4885KDM4E 2209/4885HSD17B10 478/4885
US-10906912-B2 Pharmaceutical intermediates and methods for preparing the same CYP3A7, CYP2C8, CYP2C19 SIRT1 797/4885KDM4E 1668/4885HSD17B10 588/4885
US-20140213782-A1 Novel Pharmaceutical Intermediates and Methods for Preparing the Same CYP3A7, CYP2C8, CNR2 SIRT1 690/4885KDM4E 2209/4885HSD17B10 478/4885
US-11827643-B2 Pharmaceutical intermediates and methods for preparing the same CYP3A7, CYP2C8, CYP2C19 SIRT1 797/4885KDM4E 1668/4885HSD17B10 588/4885
US-20240140956-A1 Novel Pharmaceutical Intermediates and Methods for Preparing the Same CYP3A7, CYP2C8, CNR2 SIRT1 690/4885KDM4E 2209/4885HSD17B10 478/4885

“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.