SCHEMBL1788261

SCHEMBL1788261

CC1CCCN1C(=O)NCc1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.47
KDM2B Q8NHM5 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
MLNR O43193 1/20 0.41
HRH1 P35367 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
SCHEMBL1788258 1.00 HRH3 (0.47) HRH3KDM2BCYP2D6CYP3A4CYP2C9
SCHEMBL1792064 1.00 HRH3 (0.47) HRH3KDM2BCYP2D6CYP3A4CYP2C9
SCHEMBL1789971 0.84 HRH3 (0.60) HRH3KDM2BCYP2D6
SCHEMBL7949359 0.84 HRH3 (0.50) HRH3KDM2BCYP2D6MLNRHRH1
SCHEMBL1790048 0.84 HRH3 (0.51) HRH3KDM2BCYP2D6MLNR
SCHEMBL1791794 0.83 HRH3 (0.58) HRH3KDM2BCYP2D6
SCHEMBL1792067 0.82 HRH3 (0.41) HRH3CYP3A4CYP2C9PKMCYP2C19
SCHEMBL1788260 0.82 HRH3 (0.41) HRH3CYP3A4CYP2C9PKMCYP2C19
SCHEMBL1790033 0.82 HRH3 (0.49) HRH3KDM2BCYP2D6MLNRHRH1
SCHEMBL1786946 0.81 HRH3 (0.47) HRH3KDM2BCYP2D6MLNRHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 HRH3 2/4885KDM2B 1549/4885CYP2D6 359/4885

“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.