SCHEMBL2474264

SCHEMBL2474264

O=Cc1ccccc1-c1cncc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.55
PRKCZ Q05513 1/20 0.47
KCNA5 P22460 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP11B2 P19099 8/20 0.42
CYP11B1 P15538 7/20 0.42
CYP17A1 P05093 4/20 0.42
CYP3A4 P08684 2/20 0.42
SLC22A12 Q96S37 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL19153908 0.83 IKBKE (0.48) ERN1CYP11B2CYP11B1CYP3A4SLC22A12
SCHEMBL20873066 0.81 PRKCZ (0.64) PRKCZKCNA5KCNH2CYP11B2CYP11B1
SCHEMBL29956340 0.80 ERN1 (0.50) ERN1PRKCZMEN1LMNATHRB
SCHEMBL31177892 0.80 MEN1 (0.48) ERN1MEN1LMNATHRBBLM
SCHEMBL548462 0.80 MEN1 (0.48) ERN1MEN1LMNATHRBBLM
SCHEMBL1351597 0.80 ERN1 (0.50) ERN1PRKCZMEN1LMNATHRB
Bromide SCHEMBL8728642 0.78 ERN1 (0.49) ERN1PRKCZMEN1LMNATHRB
SCHEMBL27600620 0.78 ERN1 (0.49) ERN1PRKCZMEN1LMNATHRB
SCHEMBL23904995 0.75 PRKCZ (0.63) ERN1PRKCZCYP11B2CYP11B1CYP17A1
SCHEMBL13659537 0.74 MAOA (0.48) ERN1CYP11B2MEN1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
WO-2017121969-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2017-07-20 WO disclosed
EP-2159216-B1 3-BUTENYL-1-AMINE DERIVATIVES AND THEIR USE AS Ih MODULORS FOR THE TREATMENT OF PSYCHIATIRC DISORDERS ORGANON NV (NL) 2011-10-12 EP disclosed
EP-2159216-A1 Ih - Modulators N.V. Organon (NL) 2010-03-03 EP disclosed
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 US disclosed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 US disclosed
CN-1275909-A In-modulators AKZO NOBEL NV (NL) 2000-12-06 CN disclosed
EP-1035843-A2 I h?-MODULATORS Akzo Nobel N.V. (NL) 2000-09-20 EP disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
WO-1999018941-A2 Ih-MODULATORS AKZO NOBEL N.V. (NL) 1999-04-22 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 (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-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them TK1, AK1, PHKA1 ERN1 411/4885PRKCZ 432/4885KCNA5 530/4885
US-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 ERN1 3739/4885PRKCZ 3155/4885KCNA5 890/4885
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TK1, AK1, PHKA1 ERN1 411/4885PRKCZ 432/4885KCNA5 530/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 ERN1 3739/4885PRKCZ 3155/4885KCNA5 890/4885
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AK1, TK1, PHKA1 ERN1 402/4885PRKCZ 345/4885KCNA5 688/4885

“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.