SCHEMBL4397357

SCHEMBL4397357

NCCCNCCc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.64
CHRM2 P08172 1/20 0.57
CYP1A2 P05177 3/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP2C19 P33261 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
LMNA P02545 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2D6 P10635 1/20 0.51
DPP7 Q9UHL4 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 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
SCHEMBL8458989 0.93 HRH1 (0.66) HRH1CHRM2CYP1A2ALDH1A1CYP2C19
SCHEMBL1921574 0.87 HRH3 (0.70) HRH1CHRM2CYP1A2ALDH1A1CYP2C19
SCHEMBL23053146 0.85 CYP1A2 (0.69) HRH1CHRM2CYP1A2ALDH1A1CYP2C19
SCHEMBL20024595 0.85 CHRM2 (0.75) HRH1CHRM2CYP1A2ALDH1A1LMNA
SCHEMBL7166818 0.84 CHRM2 (0.74) HRH1CHRM2CYP1A2ALDH1A1HRH3
SCHEMBL6890029 0.83 CHRM2 (0.57) HRH1CHRM2CYP1A2ALDH1A1CYP2C19
SCHEMBL5707525 0.83 CYP1A2 (0.61) HRH1CHRM2CYP1A2ALDH1A1CYP2C19
SCHEMBL1677571 0.81 CHRM2 (0.60) HRH1CHRM2CYP1A2ALDH1A1CYP2C19
SCHEMBL5707496 0.81 SIGMAR1 (0.65) CHRM2CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL11233642 0.81 CYP1A2 (0.49) HRH1CHRM2CYP1A2ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 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
EP-1467974-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS GNRH ANTAGONISTS SOD CONSEILS RECH APPLIC (FR) 2007-08-15 EP disclosed
EP-1100816-B1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2007-08-08 EP disclosed
US-20050049290-A1 Benzimidazole derivatives and their use as gnrh antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) 2005-03-03 US disclosed
EP-1467974-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS GNRH ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A. (FR) 2004-10-20 EP disclosed
EP-1251827-B1 NASALLY ADMINISTRABLE ANTIFUNGAL CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2004-05-26 EP disclosed
WO-2003053939-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS GNRH ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-07-03 WO disclosed
US-6489440-B1 Cyclic compounds BASILEA PHARMACEUTICA AG (CH) 2002-12-03 US disclosed
EP-1251827-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS Basilea Pharmaceutica AG (CH) 2002-10-30 EP disclosed
US-20010038824-A1 Intranasal cyclic peptide formulations BASILEA PHARMACEUTICA AG (CH) 2001-11-08 US disclosed
WO-2001052894-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2001-07-26 WO disclosed
EP-1100816-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2001-05-23 EP disclosed
WO-2000005251-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2000-02-03 WO disclosed
EP-0154178-B1 NITROMETHYLENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND INSECTICIDAL, MITICIDAL AND NEMATICIDAL AGENTS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-10-07 EP disclosed
US-4680294-A Pesticidal novel nitromethylene derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-07-14 US disclosed
US-4647570-A Pesticidal novel nitromethylene derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-03-03 US disclosed
EP-0154178-A1 Nitromethylene derivatives, method for their preparation and insecticidal, miticidal and nematicidal agents NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-09-11 EP 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 (3 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-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R HRH1 230/4885CHRM2 377/4885CYP1A2 659/4885
US-20050049290-A1 Benzimidazole derivatives and their use as gnrh antagonists GNRHR, FSHR, KISS1R HRH1 291/4885CHRM2 519/4885CYP1A2 1172/4885
US-20010038824-A1 Intranasal cyclic peptide formulations VIP, NPPA, SSTR5 HRH1 613/4885CHRM2 3549/4885CYP1A2 4656/4885

“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.