SCHEMBL11922992

SCHEMBL11922992

CCCCNCCC(C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.49
SIGMAR1 Q99720 2/20 0.47
CALM1 P0DP23 1/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
RIPK1 Q13546 1/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
TAAR1 Q96RJ0 3/20 0.43
AOC3 Q16853 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL11490642 0.90 DRD2 (0.43) KCNH2SIGMAR1CALM1KDM4E
SCHEMBL8625674 0.90 GRIN1 (0.51) KCNH2SIGMAR1CALM1GRIN1GRIN2A
SCHEMBL14065107 0.89 RIPK1 (0.48) KCNH2SIGMAR1RIPK1ALDH1A1TAAR1
SCHEMBL11567565 0.86 SIGMAR1 (0.53) KCNH2SIGMAR1GRIN1GRIN2ARIPK1
SCHEMBL7791795 0.84 TAAR1 (0.53) SIGMAR1GRIN1GRIN2APOLBALDH1A1
SCHEMBL3428508 0.83 HTT (0.51) KCNH2RIPK1ALDH1A1TAAR1AOC3
SCHEMBL11584396 0.81 HTR2A (0.63) KCNH2SIGMAR1CALM1GRIN1GRIN2A
SCHEMBL6014495 0.81 POLB (0.39) KCNH2SIGMAR1CALM1GRIN1GRIN2A
SCHEMBL1890145 0.81 SIGMAR1 (0.53) KCNH2SIGMAR1GRIN1GRIN2APOLB
SCHEMBL9191899 0.81 ALDH1A1 (0.55) KCNH2SIGMAR1GRIN1GRIN2ARIPK1

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KCNH2 1273/4885SIGMAR1 1040/4885CALM1 2758/4885

“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.