SCHEMBL3376877

SCHEMBL3376877

COc1ccc(Cl)cc1S(=O)(=O)N(C)CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
TSHR P16473 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3376783 0.93 ALDH1A1 (0.46) RAB9AALDH1A1POLBLMNAMAPK1
SCHEMBL3377565 0.93 LMNA (0.44) RAB9AALDH1A1HPGDLMNAMAPK1
SCHEMBL3375298 0.88 OXTR (0.38) RAB9AALDH1A1KDM4EPOLBLMNA
SCHEMBL3377408 0.87 SIGMAR1 (0.42) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL3377402 0.86 HTR2A (0.39) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL3379302 0.86 CXCR4 (0.42) ALDH1A1KDM4EPOLBNPSR1SMN1; SMN2
SCHEMBL3375273 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL3376593 0.85 RAB9A (0.49) RAB9AALDH1A1KDM4EPOLBHPGD
SCHEMBL3379128 0.85 HRH3 (0.35) RAB9AALDH1A1KDM4EPOLB
SCHEMBL3377588 0.84 KDM4E (0.36) ALDH1A1KDM4EPOLBSMN1; SMN2DRD2

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 10 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 claimed
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 claimed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US claimed
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP claimed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO claimed
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 RAB9A 303/4885ALDH1A1 923/4885KDM4E 3381/4885

“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.