SCHEMBL2890309

SCHEMBL2890309

CN(C)C1CCN(C(=O)c2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 10/20 0.52
MAP3K12 Q12852 1/20 0.51
CDK1 P06493 2/20 0.51
CDK2 P24941 2/20 0.51
DHFR P00374 1/20 0.51
GRM5 P41594 2/20 0.50
MCHR1 Q99705 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
PDK2 Q15119 1/20 0.48

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
SCHEMBL2882230 0.81 VNN1 (0.53) VNN1MAP3K12CDK1CDK2GRM5
SCHEMBL2882904 0.78 IKBKB (0.57) VNN1CDK1CDK2L3MBTL3
SCHEMBL15317646 0.75 L3MBTL3 (0.66) VNN1MCHR1ALDH1A1HPGDL3MBTL3
SCHEMBL17886764 0.75 L3MBTL3 (0.66) VNN1MCHR1ALDH1A1HPGDL3MBTL3
SCHEMBL5909079 0.75 L3MBTL3 (0.55) VNN1MCHR1L3MBTL3PDK2
SCHEMBL24185235 0.71 L3MBTL3 (0.71) MCHR1POLBHPGDL3MBTL3PDK2
SCHEMBL12237840 0.71 L3MBTL3 (0.71) ALDH1A1HPGDL3MBTL3PDK2
SCHEMBL5909215 0.71 L3MBTL3 (0.67) MCHR1KDM4EPOLBL3MBTL3PDK2
SCHEMBL6202647 0.71 L3MBTL3 (0.67) MCHR1KDM4EPOLBL3MBTL3PDK2
SCHEMBL10195734 0.71 L3MBTL3 (0.71) ALDH1A1HPGDL3MBTL3PDK2

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-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
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 VNN1 1225/4885MAP3K12 1027/4885CDK1 2484/4885

“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.