SCHEMBL19830045

SCHEMBL19830045

C[C@H]1OCc2cc(F)ccc2[C@@H]1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 1/20 0.35
HTR2C P28335 4/20 0.34
HTR2A P28223 3/20 0.34
HTR2B P41595 2/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PDE3A Q14432 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ACHE P22303 1/20 0.33
SRD5A1 P18405 3/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL19827857 1.00 KDM1A (0.35) KDM1AKDM1BHTR2CHTR2AHTR2B
SCHEMBL19830046 1.00 KDM1A (0.35) KDM1AKDM1BHTR2CHTR2AHTR2B
SCHEMBL19827864 1.00 KDM1A (0.35) KDM1AKDM1BHTR2CHTR2AHTR2B
SCHEMBL19828131 0.87 HTR2C (0.41) KDM1AKDM1BHTR2CHTR2ASLC6A4
SCHEMBL19829920 0.87 HTR2C (0.41) KDM1AKDM1BHTR2CHTR2ASLC6A4
SCHEMBL19835522 0.87 HTR2C (0.41) KDM1AKDM1BHTR2CHTR2ASLC6A4
SCHEMBL19828018 0.87 HTR2C (0.41) KDM1AKDM1BHTR2CHTR2ASLC6A4
SCHEMBL19828022 0.87 HTR2C (0.41) KDM1AKDM1BHTR2CHTR2ASLC6A4
SCHEMBL19830099 0.87 HTR2C (0.41) KDM1AKDM1BHTR2CHTR2ASLC6A4
SCHEMBL19829916 0.87 HTR2C (0.41) KDM1AKDM1BHTR2CHTR2ASLC6A4

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-11077090-B2 Compounds and compositions and uses thereof SUNOVION PHARMACEUTICALS INC. (MA) 2021-08-03 US disclosed
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF PGI DRUG DISCOVERY LLC 2018-02-01 US disclosed
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF PGI DRUG DISCOVERY LLC 2018-02-01 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 (2 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-11077090-B2 Compounds and compositions and uses thereof ACHE, CHAT, MAOB KDM1A 4074/4885KDM1B 3670/4885HTR2C 196/4885
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF ACHE, CHAT, MAOB KDM1A 4074/4885KDM1B 3670/4885HTR2C 196/4885

“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.