SCHEMBL4921955

SCHEMBL4921955

COC(=O)CCC(C(=O)Nc1ccc(C(=O)N2CCCC2)c(C)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.38
HRH4 Q9H3N8 6/20 0.38
HRH3 Q9Y5N1 3/20 0.38
AVPR2 P30518 1/20 0.36
KMT2A Q03164 1/20 0.36
F11 P03951 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
HRH1 P35367 1/20 0.35
EGFR P00533 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL8274771 0.94 HRH4 (0.43) F10HRH4HRH3AVPR2KMT2A
SCHEMBL4921679 0.92 POLB (0.42) F10HRH4HRH3AVPR2KMT2A
SCHEMBL4915089 0.91 F10 (0.40) F10HRH4HRH3AVPR2KMT2A
SCHEMBL4925817 0.88 F10 (0.40) F10HRH4HRH3AVPR2KMT2A
SCHEMBL4920927 0.88 OPRM1 (0.39) F10HRH4HRH3AVPR2F11
SCHEMBL4915154 0.88 F10 (0.37) F10HRH4HRH3AVPR2KMT2A
SCHEMBL4917951 0.87 F10 (0.39) F10HRH4HRH3AVPR2KMT2A
SCHEMBL8274765 0.86 HRH4 (0.42) F10HRH4HRH3F11POLB
SCHEMBL4916310 0.85 HRH4 (0.42) F10HRH4HRH3AVPR2CNR1
SCHEMBL8272693 0.85 HRH4 (0.43) F10HRH4HRH3KMT2AF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT GERLACH KAI 2008-01-17 US claimed
US-20050272792-A1 Benzimidazoles, process for their preparation and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-08 US claimed
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT GERLACH KAI 2008-01-17 US disclosed
US-20050272792-A1 Benzimidazoles, process for their preparation and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-08 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 (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-20050272792-A1 Benzimidazoles, process for their preparation and use thereof as medicament CYP2C19, CYP3A4, CYP2B6 F10 3212/4885HRH4 84/4885HRH3 134/4885
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT CYP2C19, CYP3A4, CYP2B6 F10 3212/4885HRH4 84/4885HRH3 134/4885

“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.