SCHEMBL4840224

SCHEMBL4840224

COCCCN1CCC(N)(C#N)CC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.33
HRH2 P25021 5/20 0.33
HRH1 P35367 5/20 0.33
OPRM1 P35372 1/20 0.32
HTR4 Q13639 3/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
KCNH2 Q12809 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RET P07949 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
CCR1 P32246 1/20 0.30

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
SCHEMBL4828626 0.87 SCN9A (0.31) OPRM1KDM4EALDH1A1
SCHEMBL6345540 0.81 S1PR1 (0.41) CCR1
SCHEMBL6352331 0.79 GNAI3 (0.46) OPRM1MAPTCCR1
SCHEMBL3897731 0.77 KDM4E (0.36) HRH3MAPTMEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6356935 0.75 KDM4E (0.35) HRH3OPRM1MAPTMEN1KDM4E
SCHEMBL4831877 0.75 KEAP1 (0.48) HRH3HRH2HRH1MAPTKCNH2
SCHEMBL18459031 0.74 DRD2 (0.35) HRH3HTR4MEN1KCNH2KDM4E
SCHEMBL10924619 0.73 ALDH1A1 (0.39) HRH3KDM4EALDH1A1
SCHEMBL11575418 0.73
SCHEMBL14116862 0.73 S1PR1 (0.40) HRH3HRH2HRH1HTR4MAPT

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-7465745-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465745-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465745-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-20050222145-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-06 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-20050222145-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ HRH3 1113/4885HRH2 743/4885HRH1 1121/4885

“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.