SCHEMBL3695388

SCHEMBL3695388

Fc1ccc(Br)cc1CN[C@H]1CN2CCC1CC2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
CHRNA7 P36544 10/20 0.43
SIGMAR1 Q99720 1/20 0.41
KDM1A O60341 1/20 0.41
HTR3A P46098 5/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL3695387 1.00 MEN1 (0.54) MEN1KMT2AGAASMN1; SMN2CHRNA7
SCHEMBL4962589 0.81 GAA (0.68) MEN1KMT2AGAASMN1; SMN2CHRNA7
SCHEMBL3364254 0.76 GAA (0.57) MEN1KMT2AGAASMN1; SMN2CHRNA7
Hydrochloric Acid SCHEMBL14119342 0.71 MEN1 (1.00) MEN1KMT2AGAASMN1; SMN2CHRNA7
Hydrochloric Acid SCHEMBL30366367 0.71 MEN1 (1.00) MEN1KMT2AGAASMN1; SMN2CHRNA7
SCHEMBL4958840 0.70 MEN1 (0.68) MEN1KMT2AGAASMN1; SMN2CHRNA7
SCHEMBL5127058 0.69 GAA (0.64) MEN1KMT2AGAASMN1; SMN2CHRNA7
SCHEMBL3932594 0.68 GAA (0.70) MEN1KMT2AGAASMN1; SMN2CHRNA7
SCHEMBL1996216 0.68 PARP1 (0.42) MEN1KMT2AKDM1A
SCHEMBL1996219 0.68 PARP1 (0.42) MEN1KMT2AKDM1A

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-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 EP disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
EP-1851199-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS Aventis Pharmaceuticals, Inc. (US) 2007-11-07 EP disclosed
WO-2006086705-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-17 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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C MEN1 2413/4885KMT2A 178/4885GAA 1855/4885

“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.