SCHEMBL1995415

SCHEMBL1995415

Nc1ccc(C2CCCN(C(=O)O)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD11B1 P28845 3/20 0.45
SLC18A3 Q16572 1/20 0.44
PROKR1 Q8TCW9 6/20 0.44
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3737773 1.00 ALDH1A1 (0.48) ALDH1A1LMNAHPGDHIF1AHSD11B1
SCHEMBL15577442 0.92 RAB9A (0.50) ALDH1A1LMNAHPGDHSD11B1SLC18A3
SCHEMBL2027017 0.92 RAB9A (0.50) ALDH1A1LMNAHPGDHSD11B1SLC18A3
SCHEMBL14345495 0.86 CASP6 (0.47) ALDH1A1LMNAHPGDHIF1ASLC18A3
SCHEMBL3312540 0.85 ALDH1A1 (0.62) ALDH1A1LMNAHPGDHIF1AHSD11B1
SCHEMBL15513886 0.84 SLC18A3 (0.42) ALDH1A1HPGDSLC18A3POLBTSHR
SCHEMBL23854774 0.84 ALDH1A1 (0.50) ALDH1A1LMNAHPGDHIF1AHSD11B1
SCHEMBL2552810 0.84 ALDH1A1 (0.50) ALDH1A1LMNAHPGDHIF1AHSD11B1
SCHEMBL9509660 0.84 PROKR1 (0.60) ALDH1A1LMNAHPGDHIF1APROKR1
SCHEMBL4099888 0.84 RAB9A (0.57) ALDH1A1LMNAHPGDHIF1AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084772-A Nilapatinib intermediate, preparation method and method for preparing Nilapatinib by using same 重庆博腾制药科技股份有限公司 2024-05-28 CN disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
EP-3668857-B1 PROCESSES FOR THE PREPARATION OF NIRAPARIB AND INTERMEDIATES THEREOF TEVA PHARMACEUTICALS INT GMBH (CH) 2023-07-05 EP disclosed
US-11629137-B2 Methods of manufacturing of niraparib TESARO, INC. (US) 2023-04-18 US disclosed
EP-3615513-B1 METHODS OF MANUFACTURING OF NIRAPARIB TESARO INC (US) 2022-07-20 EP disclosed
US-11161834-B2 Methods of manufacturing of niraparib TESARO, INC. (US) 2021-11-02 US disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
US-10927095-B2 Processes for the preparation of Niraparib and intermediates thereof TEVA PHARMACEUTICALS INTERNATIONAL GMBH 2021-02-23 US disclosed
EP-3668857-A1 PROCESSES FOR THE PREPARATION OF NIRAPARIB AND INTERMEDIATES THEREOF Teva Pharmaceuticals International GmbH (CH) 2020-06-24 EP disclosed
US-20200190056-A1 PROCESSES FOR THE PREPARATION OF NIRAPARIB AND INTERMEDIATES THEREOF ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2020-06-18 US disclosed
EP-2675793-A1 FAK INHIBITORS Cancer Therapeutics Crc Pty Limited (AU) 2013-12-25 EP disclosed
US-20130324532-A1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2013-12-05 US disclosed
US-20130017194-A1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2013-01-17 US disclosed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
WO-2012110773-A1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2012-08-23 WO disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US disclosed
CN-101932572-A Pharmaceutically acceptable salts of 2- {4- [ (3S) -piperidin-3-yl ] phenyl } -2H-indazole-7-carboxamide MERCK & CO INC 2010-12-29 CN disclosed
EP-2240466-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 2-{4-[(3S)-PIPERIDIN-3- YL]PHENYL} -2H-INDAZOLE-7-CARBOXAMIDE Merck Sharp & Dohme Limited (GB) 2010-10-20 EP disclosed
WO-2009087381-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 2-{4-[(3S)-PIPERIDIN-3- YL]PHENYL} -2H-INDAZOLE-7-CARBOXAMIDE MERCK SHARP & DOHME LTD (GB) 2009-07-16 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 (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-20130017194-A1 FAK INHIBITORS PTK2, CTTN, SRC ALDH1A1 3192/4885LMNA 2556/4885HPGD 3082/4885
US-10927095-B2 Processes for the preparation of Niraparib and intermediates thereof PARP1, PARP2, PARP3 ALDH1A1 440/4885LMNA 1356/4885HPGD 853/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885LMNA 3001/4885HPGD 4397/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ALDH1A1 440/4885LMNA 3001/4885HPGD 4397/4885
US-11161834-B2 Methods of manufacturing of niraparib PARP2, PARP1, PARP3 ALDH1A1 622/4885LMNA 2318/4885HPGD 958/4885
US-11629137-B2 Methods of manufacturing of niraparib PARP2, PARP1, PARP3 ALDH1A1 622/4885LMNA 2318/4885HPGD 958/4885
US-20130324532-A1 FAK INHIBITORS PTK2, CTTN, SRC ALDH1A1 3192/4885LMNA 2556/4885HPGD 3082/4885
US-20200190056-A1 PROCESSES FOR THE PREPARATION OF NIRAPARIB AND INTERMEDIATES THEREOF PARP1, PARP2, PARP3 ALDH1A1 440/4885LMNA 1356/4885HPGD 853/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R ALDH1A1 440/4885LMNA 3001/4885HPGD 4397/4885

“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.