SCHEMBL23112678

SCHEMBL23112678

OC1(c2ccc(F)cc2)CCN(CC(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 13/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ OPRL1 P41146 2/20 0.52
▸ DRD3 P35462 5/20 0.51
▸ HTR1A P08908 3/20 0.51
▸ DRD1 P21728 3/20 0.51
▸ DRD5 P21918 3/20 0.51
▸ SLC6A2 P23975 3/20 0.51
▸ HTR2A P28223 3/20 0.51
▸ SLC6A4 P31645 3/20 0.51
▸ HTR7 P34969 3/20 0.51
▸ HRH1 P35367 3/20 0.51
▸ HTR2B P41595 3/20 0.51
▸ TSHR P16473 1/20 0.50
▸ SIGMAR1 Q99720 2/20 0.49
▸ CCR1 P32246 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ LMNA P02545 1/20 0.49

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
SCHEMBL23112336 0.81 OPRM1 (0.39) DRD2SMN1; SMN2OPRL1DRD3HTR1A
SCHEMBL8010420 0.80 DRD2 (0.72) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL8049113 0.80 DRD2 (0.56) DRD2SMN1; SMN2OPRL1DRD3HTR1A
SCHEMBL8173291 0.77 DRD2 (0.60) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL7665773 0.75 DRD2 (0.65) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL6110923 0.75 OPRL1 (0.79) DRD2OPRL1DRD3HTR1ADRD1
SCHEMBL9182593 0.75 OPRL1 (0.40) DRD2SMN1; SMN2OPRL1DRD3HTR1A
SCHEMBL8570792 0.75 DRD2 (0.65) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL4334697 0.75 OPRL1 (0.50) DRD2SMN1; SMN2OPRL1DRD3TSHR
SCHEMBL23112572 0.75 CYP2C19 (0.54) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 — — US disclosed
WO-2021094210-A1 SUBSTITUTED PYRAZINE CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN EP3 RECEPTOR ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 — — WO disclosed
WO-2021094210-A1 SUBSTITUTED PYRAZINE CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN EP3 RECEPTOR ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 — — WO disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 — — EP disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 — — CN 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK DRD2 1803/4885SMN1; SMN2 3131/4885OPRL1 3726/4885

“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.

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