SCHEMBL3381044

SCHEMBL3381044

Cc1cc(CN2CCCC2)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
HRH3 Q9Y5N1 2/20 0.53
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.50
HRH4 Q9H3N8 1/20 0.48
DBH P09172 1/20 0.48
ACHE P22303 2/20 0.47
NCF1 P14598 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CACNA1B Q00975 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL4146260 0.98 HRH3 (0.57) ESR1ESR2HRH3ALDH1A1POLB
SCHEMBL13886163 0.88 ESR1 (0.53) ESR1ESR2ALDH1A1POLBSMN1; SMN2
SCHEMBL1394191 0.86 LMNA (0.53) ESR1ESR2ALDH1A1HTTDBH
SCHEMBL321512 0.85 HRH3 (0.54) ESR1ESR2HRH3SMN1; SMN2HTT
SCHEMBL13293670 0.84 HRH3 (0.57) HRH3ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL15132866 0.83 HRH3 (0.59) HRH3ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL7379184 0.83 HRH3 (0.59) HRH3ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL23430815 0.81 HRH3 (0.63) HRH3ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL790908 0.81 HRH3 (0.52) HRH3ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL3380016 0.79 KDM4E (0.59) HRH3ALDH1A1POLBHRH4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP disclosed
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
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP disclosed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO 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 ESR1 1151/4885ESR2 2430/4885HRH3 1/4885

“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.