SCHEMBL158414

SCHEMBL158414

O=c1cc(O)cnn1C1CCCCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 5/20 0.52
▸ CYP4A11 Q02928 5/20 0.52
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ CNR2 P34972 1/20 0.47
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ACVRL1 P37023 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ ATR Q13535 5/20 0.33
▸ PDE9A O76083 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL15889590 0.82 ALDH1A1 (0.48) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL1009505 0.82 ALDH1A1 (0.48) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL5918317 0.82 ALDH1A1 (0.48) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL25405317 0.78 ALDH1A1 (0.45) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL8740164 0.78 ALDH1A1 (0.45) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL24012595 0.77 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL31104397 0.77 RXRA (0.45) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL13026225 0.75 RXRA (0.46) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL31104444 0.75 ALDH1A1 (0.42) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL16569539 0.74 RXRA (0.61) CYP4F2CYP4A11ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 — — US disclosed
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 — — US disclosed
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 — — US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 — — US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 — — US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 — — US disclosed
EP-2822937-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS MCH-RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-12-21 — — EP disclosed
US-9365540-B2 Benzimidazole derivatives as MCH receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-14 — — US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 — — US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 — — US disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 — — US disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 — — US disclosed
EP-2240481-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS Albany Molecular Research, Inc. (US) 2010-10-20 — — EP disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 — — US disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 — — US disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 — — US disclosed
WO-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 — — WO disclosed
WO-2009089482-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-07-16 — — WO disclosed
WO-2009089482-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-07-16 — — WO disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 — — US 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 (5 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-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 CYP4F2 77/4885CYP4A11 105/4885ALDH1A1 2150/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 CYP4F2 992/4885CYP4A11 1409/4885ALDH1A1 3225/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 CYP4F2 73/4885CYP4A11 106/4885ALDH1A1 2106/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 CYP4F2 77/4885CYP4A11 105/4885ALDH1A1 2150/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 CYP4F2 73/4885CYP4A11 106/4885ALDH1A1 2106/4885

“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.

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