SCHEMBL651960

SCHEMBL651960

c1ccc2c(NC3CCCCC3)c[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
KMT2A Q03164 4/20 0.57
HTT P42858 2/20 0.57
PRKCB P05771 1/20 0.54
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
IDO1 P14902 1/20 0.51
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.45
BCHE P06276 1/20 0.45
RB1 P06400 3/20 0.43

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
SCHEMBL6087781 0.98 LMNA (0.55) LMNAKMT2AHTTPRKCBRAB9A
SCHEMBL21047740 0.84 PRKCB (0.46) LMNAKMT2AHTTPRKCBRAB9A
SCHEMBL28615180 0.78 HTT (0.40) LMNAKMT2AHTTPRKCBRAB9A
SCHEMBL27553065 0.74 MTNR1A (0.57) RAB9ANPC1SMN1; SMN2POLB
SCHEMBL4495740 0.73 KDM4E (0.73) LMNAKMT2AHTTRAB9ANPC1
SCHEMBL11523761 0.73 KDM4E (0.73) LMNAKMT2AHTTRAB9ANPC1
SCHEMBL20336230 0.73 KDM4E (0.73) LMNAKMT2AHTTRAB9ANPC1
SCHEMBL29449726 0.73 KDM4E (0.73) LMNAKMT2AHTTRAB9ANPC1
SCHEMBL6654114 0.72 ATM (0.52) KMT2AHTTKDM4EMAPTMEN1
SCHEMBL7840105 0.71 PRKCB (1.00) PRKCB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004082686-A2 USE OF COMPOUNDS WITH COMBINED 5-HT1A AND SSRI ACTIVITIES TO TREAT SEXUAL DYSFUNCTION DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 WO claimed
US-20040192730-A1 Methods of using compounds with combined 5-HT1A and SSRI activities as-needed to treat sexual dysfunction DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 US claimed
US-9034852-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2015-05-19 US disclosed
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
EP-2536717-B1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-04 EP disclosed
EP-2536716-B1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
US-8580832-B2 Substituted phenoxy aminothiazolones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-12 US disclosed
US-8445690-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-05-21 US disclosed
US-8426604-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-04-23 US disclosed
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-8344009-B2 Substituted phenoxy thiazolidinediones as estrogen related receptor-á modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-01 US disclosed
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 US disclosed
WO-2004082686-A2 USE OF COMPOUNDS WITH COMBINED 5-HT1A AND SSRI ACTIVITIES TO TREAT SEXUAL DYSFUNCTION DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
US-20040192730-A1 Methods of using compounds with combined 5-HT1A and SSRI activities as-needed to treat sexual dysfunction DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 US disclosed
CN-1304409-A Indol-3-Yl-cyclohexyl amide derivatives for treatment of depression (5-HT1 receptor antagonists) AMERICAN HOME PROD (US) 2001-07-18 CN disclosed
EP-1070063-A1 INDOL-3-YL-CYCLOHEXYL AMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION (5-HT1 RECEPTOR ANTAGONISTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
EP-1070712-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS HAVING ANTIPLATELET AGGREGATION EFFECT AND MEDICINAL USE THEREOF MEIJI SEIKA KAISHA LTD. (JP) 2001-01-24 EP disclosed
US-6162803-A Indol-3-yl-cyclohexyl amine derivatives for the treatment of depression AMERICAN HOME PRODUCTS CORP. (US) 2000-12-19 US disclosed
US-6162803-A Indol-3-yl-cyclohexyl amine derivatives for the treatment of depression AMERICAN HOME PRODUCTS CORP. (US) 2000-12-19 US disclosed
WO-1999051592-A1 INDOL-3-YL-CYCLOHEXYL AMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION (5-HT1 RECEPTOR ANTAGONISTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 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-20040192730-A1 Methods of using compounds with combined 5-HT1A and SSRI activities as-needed to treat sexual dysfunction HTR5A, HTR1A, HTR3A LMNA 2791/4885KMT2A 3907/4885HTT 2642/4885
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators ESR2, ESRRA, ESRRG LMNA 3434/4885KMT2A 970/4885HTT 2290/4885

“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.