SCHEMBL4060709

SCHEMBL4060709

N[C@H]1C[C@@H](c2ccccc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
MAOB P27338 9/20 0.50
KDM1A O60341 6/20 0.50
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
MAOA P21397 7/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2B6 P20813 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
LMNA P02545 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
HTR2C P28335 2/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 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
SCHEMBL4060717 1.00 SIGMAR1 (0.56) SIGMAR1MAOBKDM1ASLC6A2SLC6A3
SCHEMBL4060712 1.00 SIGMAR1 (0.56) SIGMAR1MAOBKDM1ASLC6A2SLC6A3
SCHEMBL7619930 1.00 SIGMAR1 (0.56) SIGMAR1MAOBKDM1ASLC6A2SLC6A3
SCHEMBL7619926 1.00 SIGMAR1 (0.56) SIGMAR1MAOBKDM1ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL16536407 0.98 SIGMAR1 (0.58) SIGMAR1MAOBKDM1ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL16535577 0.98 SIGMAR1 (0.58) SIGMAR1MAOBKDM1ASLC6A2SLC6A3
SCHEMBL21694733 0.84 HTR2A (0.49) SIGMAR1KDM1AHTR2CHTR2AHTR2B
SCHEMBL21694751 0.84 HTR2A (0.49) SIGMAR1KDM1AHTR2CHTR2AHTR2B
SCHEMBL1388099 0.84 SIGMAR1 (0.55) SIGMAR1HTR2CHTR2AHTR2BHRH3
SCHEMBL5815432 0.81 SLC6A2 (0.62) SIGMAR1MAOBKDM1ASLC6A2SLC6A3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844643-B1 PYRIMIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-30 EP disclosed
US-9199946-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-01 US disclosed
US-9199946-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-01 US disclosed
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 US disclosed
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 US disclosed
WO-2013151877-A1 PYRIMIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-10 WO disclosed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP disclosed
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors ANTHONY NEVILLE J (US) 2005-08-11 US disclosed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 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 (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-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA SIGMAR1 3143/4885MAOB 2194/4885KDM1A 183/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA SIGMAR1 3143/4885MAOB 2194/4885KDM1A 183/4885
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, PNLIP SIGMAR1 2280/4885MAOB 387/4885KDM1A 453/4885

“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.