SCHEMBL24914252

SCHEMBL24914252

CCCC1CCN(CC(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
GNAO1 P09471 1/20 0.38
KDM1A O60341 1/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
DRD2 P14416 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
DCPS Q96C86 1/20 0.34
HPGDS O60760 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CYP1A2 P05177 1/20 0.31
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31

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
SCHEMBL20642342 0.88 CYP1A2 (0.47) HRH3GNAO1KDM1AMAOBMAOA
SCHEMBL10271094 0.85 KDM1A (0.36) GNAO1KDM1ADCPSHPGDSGPR119
SCHEMBL21043268 0.82 HRH3 (0.35) HRH3GNAO1MAOBMAOADRD2
SCHEMBL19220878 0.79 KDM1A (0.36) KDM1ACHRM4DCPSHPGDSGPR119
SCHEMBL15846086 0.79 ACHE (0.36) HRH3KDM1ADCPSHPGDSGPR119
SCHEMBL22727531 0.78 KDM1A (0.37) KDM1ADCPSHPGDSGPR119NR1H2
SCHEMBL20160685 0.78 KDM1A (0.39) KDM1ADCPSHPGDSGPR119
SCHEMBL70799 0.78 HRH3 (0.46) HRH3GNAO1MAOBMAOADRD2
SCHEMBL23564476 0.78 DPP8 (0.35) GNAO1KDM1ADCPSNR1H2NR1H3
SCHEMBL19734257 0.77 GNAO1 (0.51) HRH3GNAO1DRD2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2023-01-19 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-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 HRH3 4595/4885GNAO1 1026/4885KDM1A 1844/4885

“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.