SCHEMBL172602

SCHEMBL172602

CCCN(C)CCc1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
TSHR P16473 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
POLB P06746 1/20 0.65
NPSR1 Q6W5P4 1/20 0.60
CYP2D6 P10635 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
RECQL P46063 1/20 0.56
ATM Q13315 1/20 0.55
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
ALDH1A1 P00352 2/20 0.51
HRH3 Q9Y5N1 1/20 0.49
HRH1 P35367 1/20 0.48
HIF1A Q16665 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL31059180 0.93 KDM4E (0.68) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL12819456 0.93 KDM4E (0.68) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL31059181 0.93 KDM4E (0.68) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL172594 0.90 KDM4E (0.61) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL6033690 0.87 KDM4E (0.67) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL654006 0.84 HRH1 (0.61) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL13955394 0.84 KDM4E (0.59) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL6785130 0.84 KDM4E (0.59) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL655165 0.84 KDM4E (0.59) KDM4ETSHRTDP1POLBNPSR1
SCHEMBL13749778 0.84 TDP1 (0.58) KDM4ETSHRTDP1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765091-B2 Tetrahydropyrazolo [3,4-b] azepine derivatives and their use as allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2017-09-19 US disclosed
US-20130267499-A1 NOVEL TETRAHYDROPYRAZOLO [3,4-b] AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-10-10 US disclosed
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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 (4 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-20130267499-A1 NOVEL TETRAHYDROPYRAZOLO [3,4-b] AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRIK4 KDM4E 414/4885TSHR 513/4885TDP1 3211/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R KDM4E 813/4885TSHR 64/4885TDP1 4048/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 KDM4E 1806/4885TSHR 3740/4885TDP1 2159/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 KDM4E 1869/4885TSHR 4052/4885TDP1 1684/4885

“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.