SCHEMBL3442149

SCHEMBL3442149

CN(CC1CC(Oc2cc(Cl)c(CN3CCCC3)cc2Cl)C1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
GPBAR1 Q8TDU6 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 1/20 0.36
CHEK1 O14757 1/20 0.35
RPS6KB1 P23443 1/20 0.35
FLT4 P35916 1/20 0.35
FLT3 P36888 1/20 0.35
RPS6KA3 P51812 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL3442151 1.00 HRH3 (0.52) HRH3GPBAR1MEN1KMT2ABCHE
SCHEMBL3377939 0.96 HRH3 (0.48) HRH3GPBAR1MEN1KMT2ABCHE
Hydrochloric Acid SCHEMBL3375941 0.87 HRH3 (0.48) HRH3GPBAR1MEN1KMT2ACHEK1
Hydrochloric Acid SCHEMBL3375938 0.87 HRH3 (0.48) HRH3GPBAR1MEN1KMT2ACHEK1
SCHEMBL3380259 0.86 HRH3 (0.45) HRH3GPBAR1MEN1KMT2ABCHE
SCHEMBL3442655 0.85 HRH3 (0.46) HRH3GPBAR1MEN1KMT2AKDM4E
SCHEMBL3442653 0.85 HRH3 (0.46) HRH3GPBAR1MEN1KMT2AKDM4E
Cyclopropane SCHEMBL3413689 0.84 HRH3 (0.57) HRH3POLBKDM4EALDH1A1HRH1
Cyclohexane SCHEMBL3380419 0.84 HRH3 (0.57) HRH3POLBKDM4EALDH1A1HRH1
SCHEMBL3381173 0.84 HRH3 (0.57) HRH3POLBKDM4EALDH1A1HRH1

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-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US disclosed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 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-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS HRH3, HRH4, HRH2 HRH3 1/4885GPBAR1 84/4885MEN1 2959/4885

“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.