SCHEMBL5486049

SCHEMBL5486049

COc1ccccc1N1CCN(CC[C@H](c2ccccc2F)[C@@H](N)C2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD2 P14416 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2B P41595 1/20 0.47
HTR7 P34969 1/20 0.46

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
SCHEMBL5469176 1.00 HTR1A (0.48) HTR1AKDM4EALDH1A1KMT2AMAPK1
SCHEMBL5475350 1.00 HTR1A (0.48) HTR1AKDM4EALDH1A1KMT2AMAPK1
SCHEMBL5472134 0.89 HTR1A (0.47) HTR1AKDM4EALDH1A1KMT2AMAPK1
SCHEMBL5858360 0.89 HTR1A (0.53) HTR1AKDM4EALDH1A1KMT2AMAPK1
SCHEMBL5859373 0.89 HTR1A (0.53) HTR1AKDM4EALDH1A1KMT2AMAPK1
SCHEMBL5858732 0.89 HTR1A (0.53) HTR1AKDM4EALDH1A1KMT2AMAPK1
SCHEMBL5858801 0.89 HTR1A (0.53) HTR1AKDM4EALDH1A1KMT2AMAPK1
SCHEMBL5858707 0.89 HTR1A (0.53) HTR1AKDM4EALDH1A1KMT2AMAPK1
SCHEMBL5472136 0.87 HTR1A (0.47) HTR1AKDM4EALDH1A1KMT2AMAPK1
SCHEMBL5473762 0.87 HTR1A (0.47) HTR1AKDM4EALDH1A1KMT2AMAPK1

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-20070270436-A1 NOVEL AMINO- AND IMINO-ALKYLPIPERAZINES RECORDATI IRELAND LIMITED (IE) 2007-11-22 US claimed
US-20070270436-A1 NOVEL AMINO- AND IMINO-ALKYLPIPERAZINES RECORDATI IRELAND LIMITED (IE) 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-20070270436-A1 NOVEL AMINO- AND IMINO-ALKYLPIPERAZINES HTR5A, HTR1A, HTR2C HTR1A 2/4885KDM4E 4003/4885ALDH1A1 962/4885

“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.