SCHEMBL20061838

SCHEMBL20061838

CCCCCCN1CCC(NC(=O)C(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.51
GNAI3 P08754 6/20 0.50
GNAO1 P09471 6/20 0.50
GNAI1 P63096 6/20 0.50
CHRM1 P11229 1/20 0.49
EPHX2 P34913 2/20 0.49
EPHX1 P07099 1/20 0.49
HTR4 Q13639 2/20 0.47
KCNH2 Q12809 2/20 0.46
BCHE P06276 2/20 0.44
CHRM3 P20309 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
SCHEMBL8007116 0.88 EPHX1 (0.52) CHRM1EPHX2EPHX1
SCHEMBL27669922 0.82 GNAI3 (0.54) CCR1GNAI3GNAO1GNAI1EPHX2
SCHEMBL12304475 0.81 KDM4E (0.55) CHRM1EPHX2EPHX1HTR4
SCHEMBL22951185 0.80 HTR4 (0.46) CHRM1EPHX2HTR4KCNH2
SCHEMBL25567991 0.80 CHRM1 (0.46) CHRM1
SCHEMBL4193160 0.79 EPHX1 (0.60) EPHX2EPHX1
SCHEMBL22305610 0.79 CHRM1 (0.45) CCR1CHRM1HTR4
SCHEMBL22519371 0.78 CHRM1 (0.45) CHRM1EPHX2EPHX1
SCHEMBL12304479 0.78 HTR4 (0.49) CHRM1HTR4
SCHEMBL17937231 0.77 NPSR1 (0.53) CCR1GNAI3GNAO1GNAI1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 US disclosed
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES TPSD1, TPSAB1, TMSB4X CCR1 1208/4885GNAI3 1117/4885GNAO1 2067/4885

“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.