SCHEMBL5013601

SCHEMBL5013601

CNC[C@@H](CCN1CC(N2CCSCC2)C1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.50
TACR2 P21452 3/20 0.48
TACR1 P25103 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 2/20 0.40
CCR5 P51681 1/20 0.40

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
Hydrochloric Acid SCHEMBL4259335 0.99 MCHR1 (0.49) MCHR1TACR2TACR1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4264152 0.99 MCHR1 (0.49) MCHR1TACR2TACR1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4406052 0.99 MCHR1 (0.49) MCHR1TACR2TACR1CYP3A4CYP2D6
SCHEMBL5016488 0.87 MCHR1 (0.50) MCHR1TACR2CYP3A4CYP2D6SLC6A2
SCHEMBL5013606 0.86 TACR2 (0.47) MCHR1TACR2TACR1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4269269 0.86 MCHR1 (0.49) MCHR1TACR2CYP3A4CYP2D6SLC6A2
SCHEMBL5013720 0.86 MCHR1 (0.52) MCHR1TACR2TACR1
SCHEMBL6002420 0.86 MCHR1 (0.52) MCHR1TACR2TACR1
Hydrochloric Acid SCHEMBL4259342 0.85 TACR2 (0.46) MCHR1TACR2TACR1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4264161 0.85 TACR2 (0.46) MCHR1TACR2TACR1CYP3A4CYP2D6

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-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 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-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 MCHR1 698/4885TACR2 19/4885TACR1 28/4885

“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.