SCHEMBL4067984

SCHEMBL4067984

O=C(NCC1CCc2ccccc21)c1ncc2cccnc2c1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
FEN1 P39748 1/20 0.41
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
EGLN1 Q9GZT9 7/20 0.39
KDM4C Q9H3R0 3/20 0.38
KDM5A P29375 2/20 0.38
KDM5B Q9UGL1 2/20 0.38
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
P2RX7 Q99572 1/20 0.37
EGLN2 Q96KS0 1/20 0.36

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
SCHEMBL4060243 0.82 TAS1R3 (0.49) FEN1TAOK1TAOK3P2RX7
SCHEMBL4066910 0.82 TAS1R3 (0.49) FEN1TAOK1TAOK3P2RX7
SCHEMBL4062961 0.82 CNR1 (0.45) FEN1CNR1CNR2EGLN1PRMT5
SCHEMBL4059939 0.80 CNR1 (0.47) FEN1CNR1CNR2EGLN1TAOK1
SCHEMBL7688581 0.80 EGLN1 (0.54) EGLN1KDM4CKDM5AKDM5BTAOK1
SCHEMBL4064260 0.78 ALDH1A1 (0.57) CNR1CNR2TAOK1TAOK3P2RX7
SCHEMBL5227234 0.75 GSK3B (0.42) FEN1EGLN1
SCHEMBL4069001 0.74 FEN1 (0.47) FEN1EGLN1
SCHEMBL4066741 0.73 EGLN1 (0.69) FEN1EGLN1
SCHEMBL5227092 0.72 SMN1; SMN2 (0.51) FEN1EGLN1

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
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US claimed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP claimed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US claimed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO claimed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP 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
WO-2002030931-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 (2 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 MTNR1A 4104/4885MTNR1B 4440/4885FEN1 500/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA MTNR1A 4104/4885MTNR1B 4440/4885FEN1 500/4885

“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.