SCHEMBL5794119

SCHEMBL5794119

CC(=O)C1(c2ccccc2)CCN(Cc2ccc3[nH]c(CN4CCCC4)cc3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHEK1 O14757 5/20 0.42
HRH4 Q9H3N8 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR7 P34969 1/20 0.41
CDK7 P50613 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
OPRL1 P41146 1/20 0.40
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
LMNA P02545 1/20 0.39
DRD1 P21728 1/20 0.39

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
SCHEMBL5917599 0.79 CHEK1 (0.52) KDM4ECHEK1HRH4CDK7ALDH1A1
SCHEMBL5796117 0.79 CHEK1 (0.58) KDM4ECHEK1HRH4CDK7ALDH1A1
SCHEMBL5330651 0.76 CYP2D6 (0.61) KDM4ENPSR1CYP2D6ALDH1A1KMT2A
SCHEMBL5795808 0.74 CHEK1 (0.45) KDM4ECHEK1HRH4CYP2D6CDK7
SCHEMBL5793647 0.73 HRH4 (0.47) KDM4ECHEK1HRH4CDK7ALDH1A1
SCHEMBL5793515 0.72 HRH3 (0.45) KDM4ECHEK1HRH4CYP2D6CDK7
SCHEMBL5917611 0.72 CHEK1 (0.46) KDM4ECHEK1HRH4ALDH1A1MEN1
SCHEMBL5917615 0.72 HRH3 (0.52) KDM4ECHEK1HRH4CDK7ALDH1A1
SCHEMBL5797203 0.71 DRD2 (0.47) KDM4ECHEK1HRH4CDK7ALDH1A1
SCHEMBL14522977 0.70 MCHR2 (0.59) KDM4ENPSR1ALDH1A1MEN1MAPT

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
WO-2006035308-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-04-06 WO claimed
US-20060069087-A1 Histamine-3 receptor antagonists PFIZER INC 2006-03-30 US claimed
WO-2006035308-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-04-06 WO disclosed
US-20060069087-A1 Histamine-3 receptor antagonists PFIZER INC 2006-03-30 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-20060069087-A1 Histamine-3 receptor antagonists HRH3, HRH4, HRH2 KDM4E 3231/4885NPSR1 62/4885CHEK1 2994/4885

“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.