SCHEMBL17660232

SCHEMBL17660232

CC(C)Nc1ccc(N2CCN(CCOCCO)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.43
HTR1A P08908 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
CHRM2 P08172 2/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
HRH2 P25021 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
ADRA1A P35348 2/20 0.41
HRH1 P35367 2/20 0.41
DRD3 P35462 2/20 0.41
OPRK1 P41145 2/20 0.41
HTR2B P41595 2/20 0.41
HTR6 P50406 2/20 0.41
KCNH2 Q12809 2/20 0.41

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
SCHEMBL17664563 0.85 BCL2A1 (0.46) BCL2A1HTR1AKDM4EALDH1A1DRD2
SCHEMBL14409702 0.78 GFER (0.53) BCL2A1HTR1AKDM4EALDH1A1DRD2
SCHEMBL22266161 0.78 KCNH2 (0.62) HTR1ADRD2DRD4CHRM2ADRA2A
SCHEMBL12606898 0.76 RAD52 (0.57) KDM4EADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL1663685 0.75 MAPT (0.53) KDM4EALDH1A1USP2SMN1; SMN2NAMPT
SCHEMBL9354477 0.75 ALDH1A1 (0.53) BCL2A1HTR1AKDM4EALDH1A1DRD2
SCHEMBL12965934 0.74 ALDH1A1 (0.53) KDM4EALDH1A1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9336021 0.74 NSD2 (0.48) BCL2A1HTR1AKDM4EALDH1A1DRD2
SCHEMBL27937113 0.74 HTR1A (0.48) BCL2A1HTR1AKDM4EALDH1A1ADRA2A
SCHEMBL24590408 0.72 MAPT (0.59) KDM4EALDH1A1USP2SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321766-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-04-26 US disclosed
US-20160096832-A1 KINASE INHIBITORS ALLERGAN, INC. 2016-04-07 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-20160096832-A1 KINASE INHIBITORS ABL1, LCK, ERBB2 BCL2A1 1240/4885HTR1A 3849/4885KDM4E 1393/4885

“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.