SCHEMBL17633995

SCHEMBL17633995

CCSCC(C)N(c1ccccn1)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KCNH2 Q12809 2/20 0.35
KCNA5 P22460 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
OPRK1 P41145 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL6691477 0.78 CYP2D6 (0.51) CYP2D6CYP2C19TAAR1KCNH2KCNA5
SCHEMBL14720135 0.76 CYP2D6 (0.44) CYP2D6CYP2C19TAAR1KCNH2ALDH1A1
SCHEMBL13338372 0.73 CYP2D6 (0.47) CYP2D6CYP2C19TAAR1KCNH2ALDH1A1
SCHEMBL11701431 0.70 CYP2D6 (0.44) CYP2D6CYP2C19TAAR1KCNH2KCNA5
SCHEMBL9280035 0.68 CYP2C19 (0.43) CYP2D6CYP2C19TAAR1KCNH2ALDH1A1
SCHEMBL13338416 0.67 ALDH1A1 (0.46) CYP2D6CYP2C19TAAR1KCNH2ALDH1A1
SCHEMBL13180333 0.67 TAAR1 (0.55) CYP2D6CYP2C19TAAR1KCNH2KCNA5
SCHEMBL17070034 0.66 CYP2D6 (0.48) CYP2D6CYP2C19TAAR1KCNH2ALDH1A1
SCHEMBL7266260 0.66 TSHR (0.45) CYP2D6KCNH2KCNA5ALDH1A1CHRM2
SCHEMBL225860 0.65 CYP2D6 (0.52) CYP2D6CYP2C19KCNH2ALDH1A1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10874753-B2 Radiopharmaceutical conjugate of a metabolite and an EPR agent, for targeting tumour cells THE SOUTH AFRICAN NUCLEAR ENERGY CORPORATION LIMITED (ZA) 2020-12-29 US claimed
US-20170296684-A1 RADIOPHARMACEUTICAL CONJUGATE UNIVERSITY OF CAPE TOWN (ZA) 2017-10-19 US claimed
EP-3197504-A2 RADIOPHARMACEUTICAL CONJUGATE OF A METABOLITE AND AN EPR AGENT, FOR TARGETING TUMOUR CELLS The South African Nuclear Energy Corporation Limited (ZA) 2017-08-02 EP claimed
WO-2016046793-A2 RADIOPHARMACEUTICAL CONJUGATE THE SOUTH AFRICAN NUCLEAR ENERGY CORPORATION LIMITED (ZA) 2016-03-31 WO claimed
EP-4556029-A2 RADIOPHARMACEUTICAL CONJUGATE The South African Nuclear Energy Corporation Limited (ZA) 2025-05-21 EP disclosed
US-10874753-B2 Radiopharmaceutical conjugate of a metabolite and an EPR agent, for targeting tumour cells THE SOUTH AFRICAN NUCLEAR ENERGY CORPORATION LIMITED (ZA) 2020-12-29 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-10874753-B2 Radiopharmaceutical conjugate of a metabolite and an EPR agent, for targeting tumour cells EPRS1, FOLH1, SLC46A1 CYP2D6 1739/4885CYP2C19 1701/4885TAAR1 710/4885
US-20170296684-A1 RADIOPHARMACEUTICAL CONJUGATE FOLH1, EPRS1, FOLR1 CYP2D6 1876/4885CYP2C19 1892/4885TAAR1 694/4885

“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.