SCHEMBL3379362

SCHEMBL3379362

COc1cc(O)ccc1CN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
GAA P10253 1/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ABCB1 P08183 1/20 0.52
F2 P00734 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL1427325 0.98 KMT2A (0.61) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL3381031 0.87 KDM4E (0.66) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL1393758 0.86 HSD17B10 (0.57) KMT2AMEN1ALDH1A1KDM4EABCB1
SCHEMBL27467731 0.84 MEN1 (0.47) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL9831262 0.82 KDM4E (0.64) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL2760407 0.82 MEN1 (0.62) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL6604508 0.81 KDM4E (0.80) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL2205074 0.81 TSHR (0.59) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL14174963 0.81 KMT2A (0.65) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL28191688 0.81 KDM4E (0.63) KMT2AMEN1ALDH1A1TSHRGAA

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 KMT2A 1261/4885MEN1 2959/4885ALDH1A1 923/4885

“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.