SCHEMBL9923528

SCHEMBL9923528

OC1(c2cccc(F)c2)CNC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
SLC6A2 P23975 2/20 0.48
OPRK1 P41145 2/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRL1 P41146 1/20 0.48
CHRNA1 P02708 1/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
KDM1A O60341 2/20 0.46
HSD11B1 P28845 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 2/20 0.36
CCR2 P41597 1/20 0.36

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
Hydrochloric Acid SCHEMBL27139002 0.98 SLC6A2 (0.47) SLC6A4SLC6A3SLC6A2OPRK1OPRM1
Hydrochloric Acid SCHEMBL29698898 0.98 SLC6A2 (0.47) SLC6A4SLC6A3SLC6A2OPRK1OPRM1
SCHEMBL3153964 0.85 OPRM1 (0.52) SLC6A4SLC6A3SLC6A2OPRK1OPRM1
Hydrochloric Acid SCHEMBL9310981 0.84 OPRM1 (0.46) SLC6A4SLC6A3SLC6A2OPRK1OPRM1
Hydrochloric Acid SCHEMBL2267897 0.84 OPRM1 (0.51) SLC6A4SLC6A3SLC6A2OPRK1OPRM1
SCHEMBL12369440 0.83 OPRM1 (0.45) SLC6A4SLC6A3SLC6A2OPRK1OPRM1
Tert-Butyl Formate SCHEMBL28025790 0.83 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2OPRK1OPRM1
Hydrochloric Acid SCHEMBL9311016 0.82 OPRM1 (0.44) SLC6A4SLC6A3SLC6A2OPRK1OPRM1
SCHEMBL23232239 0.82 OPRL1 (0.59) SLC6A4SLC6A3SLC6A2OPRK1OPRM1
SCHEMBL31159130 0.78 KDM1A (0.52) SLC6A4SLC6A3SLC6A2OPRK1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. 2024-02-29 US disclosed
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. 2024-02-29 US disclosed
WO-2022140290-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. (US) 2022-06-30 WO disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 WO 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-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS NAMPT, NNT, NAPRT SLC6A4 744/4885SLC6A3 725/4885SLC6A2 700/4885

“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.