SCHEMBL2936683

SCHEMBL2936683

CN1CCN(CCOc2cncc(Br)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.51
CHRNA4 P43681 3/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR1B P28222 1/20 0.46
LTA4H P09960 2/20 0.46
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CXCR1 P25024 1/20 0.44
DRD3 P35462 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PTGS2 P35354 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
SCHEMBL2935953 0.88 CHRNB2 (0.57) CHRNB2CHRNA4LTA4HKDM4EHRH3
SCHEMBL2933385 0.87 CHRNB2 (0.56) CHRNB2CHRNA4MEN1KMT2ALTA4H
SCHEMBL3577214 0.84 TSHR (0.55) CHRNB2CHRNA4LTA4HRAB9AKDM4E
SCHEMBL15884247 0.81 L3MBTL1 (0.54) CHRNB2CHRNA4MEN1KMT2AKDM4E
SCHEMBL2934355 0.79 L3MBTL1 (0.56) CHRNB2CHRNA4MEN1KMT2AKDM4E
SCHEMBL15206963 0.79 GPR4 (0.47) CHRNB2CHRNA4DRD3
SCHEMBL15884439 0.77 HRH3 (0.54) KDM4EALDH1A1HRH3
SCHEMBL4120225 0.76 RAB9A (0.69) MEN1KMT2AHTR1BLTA4HRAB9A
SCHEMBL24568237 0.75 CHRNB2 (0.64) CHRNB2CHRNA4CXCR1
SCHEMBL19668758 0.75 CHRNB2 (0.46) CHRNB2CHRNA4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425482-A1 PYRROLIDINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-12-26 US disclosed
EP-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 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-20240425482-A1 PYRROLIDINE DERIVATIVES AS DDRS INHIBITORS DDR1, DDR2, DDRGK1 CHRNB2 3482/4885CHRNA4 4023/4885MEN1 3485/4885

“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.