SCHEMBL4037320

SCHEMBL4037320

NCCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.76
TAAR1 Q96RJ0 1/20 0.76
SIGMAR1 Q99720 9/20 0.67
IGF1R P08069 1/20 0.58
ALOX15 P16050 1/20 0.58
IDO1 P14902 3/20 0.50
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46

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
Hydrochloric Acid SCHEMBL14829816 0.98 PNMT (0.73) PNMTTAAR1SIGMAR1IGF1RALOX15
SCHEMBL4714764 0.94 PNMT (0.73) PNMTTAAR1SIGMAR1IGF1RALOX15
SCHEMBL31497388 0.94 PNMT (0.73) PNMTTAAR1SIGMAR1IGF1RALOX15
SCHEMBL11324805 0.92 PNMT (0.70) PNMTTAAR1SIGMAR1IGF1RALOX15
SCHEMBL11332031 0.92 PNMT (0.70) PNMTTAAR1SIGMAR1IGF1RALOX15
SCHEMBL11331998 0.92 PNMT (0.70) PNMTTAAR1SIGMAR1IGF1RALOX15
SCHEMBL11327503 0.92 PNMT (0.70) PNMTTAAR1SIGMAR1IGF1RALOX15
SCHEMBL11332990 0.92 PNMT (0.70) PNMTTAAR1SIGMAR1IGF1RALOX15
SCHEMBL11332028 0.92 PNMT (0.70) PNMTTAAR1SIGMAR1IGF1RALOX15
SCHEMBL11338042 0.92 PNMT (0.70) PNMTTAAR1SIGMAR1IGF1RALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847174-B1 PYRIMIDINONE CARBOXAMIDES AS INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2017-05-17 EP disclosed
EP-2847174-B1 PYRIMIDINONE CARBOXAMIDES AS INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2017-05-17 EP disclosed
EP-2760834-B1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-16 EP disclosed
EP-2760834-B1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-16 EP disclosed
US-9394260-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-19 US disclosed
US-9394260-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-19 US disclosed
US-9394260-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-19 US disclosed
EP-2760829-B1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-18 EP disclosed
EP-2760829-B1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-18 EP disclosed
US-9249096-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP disclosed
EP-0525360-B1 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1998-03-25 EP disclosed
US-5242944-A Analgesics or antiinflammatory agents KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-09-07 US disclosed
EP-0525360-A2 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-02-03 EP disclosed
EP-0002721-B1 PROCESS FOR PREPARING HYDRAZINES BAYER AG (DE) 1981-09-02 EP disclosed
EP-0002721-A2 Process for preparing hydrazines BAYER AG (DE) 1979-07-11 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 (3 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A PNMT 20/4885TAAR1 57/4885SIGMAR1 50/4885
US-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF PNMT 2181/4885TAAR1 4746/4885SIGMAR1 4036/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A PNMT 20/4885TAAR1 57/4885SIGMAR1 50/4885

“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.