SCHEMBL2888035

SCHEMBL2888035

CN(C)C1CCN(C(=O)c2ccc(NC(=O)c3sccc3Cl)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.50
ATR Q13535 3/20 0.49
MCHR1 Q99705 2/20 0.48
HRH3 Q9Y5N1 2/20 0.44
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AVPR1A P37288 1/20 0.42
AVPR1B P47901 1/20 0.42
JAK2 O60674 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
CDK1 P06493 2/20 0.42
CDK2 P24941 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3C2B O00750 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL2886338 0.81 MAPT (0.55) RAB9A
SCHEMBL2889406 0.78 MCHR1 (0.73) L3MBTL3ATRMCHR1HRH3
SCHEMBL2887653 0.77 ATR (0.51) L3MBTL3ATRMCHR1HRH3RAB9A
SCHEMBL2885651 0.76 ATR (0.57) L3MBTL3ATRMCHR1HRH3RAB9A
SCHEMBL2885755 0.76 HDAC3 (0.57) L3MBTL3ATRMCHR1L3MBTL1TRPV4
SCHEMBL2886450 0.75 MCHR1 (0.58) L3MBTL3ATRMCHR1
SCHEMBL2890112 0.75 ATR (0.56) L3MBTL3ATRMCHR1HRH3RAB9A
SCHEMBL2885719 0.74 ATR (0.55) L3MBTL3ATRMCHR1HRH3RAB9A
SCHEMBL2889859 0.74 IKBKB (0.54) L3MBTL3ATRMCHR1HRH3JAK2
SCHEMBL24185230 0.73 L3MBTL3 (0.71) L3MBTL3MCHR1HRH3L3MBTL1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027086-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-02-25 EP claimed
WO-2007136668-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-11-29 WO claimed
US-20070270440-A1 N-benzoyl- and N-benzylpyrrolidin-3-ylamines as histamine-3 antagonists WYETH (US) 2007-11-22 US claimed
US-7842715-B2 N-benzoyl- and N-benzylpyrrolidin-3-ylamines as histamine-3 antagonists WYETH LLC (US) 2010-11-30 US disclosed
WO-2007136668-A9 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH CORP (US) 2008-03-27 WO disclosed
US-20070270440-A1 N-benzoyl- and N-benzylpyrrolidin-3-ylamines as histamine-3 antagonists WYETH (US) 2007-11-22 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-20070270440-A1 N-benzoyl- and N-benzylpyrrolidin-3-ylamines as histamine-3 antagonists HRH4, HRH3, HRH2 L3MBTL3 2436/4885ATR 4689/4885MCHR1 184/4885

“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.