SCHEMBL23112336

SCHEMBL23112336

NC1(c2ccc(F)cc2)CCN(CC(F)(F)F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ OPRL1 P41146 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.37
▸ DRD2 P14416 8/20 0.36
▸ DRD3 P35462 2/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ DRD5 P21918 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ MAPK14 Q16539 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
SCHEMBL23112678 0.81 DRD2 (0.53) OPRL1SLC6A3DRD2DRD3DRD4
SCHEMBL6888881 0.80 HSD11B1 (0.50) OPRM1OPRD1OPRK1SLC6A3DRD2
SCHEMBL16113263 0.75 OPRL1 (0.53) OPRM1OPRL1DRD2
SCHEMBL56590 0.74 MAOB (0.48) SLC6A3
SCHEMBL2773343 0.74 OPRM1 (0.47) OPRM1SLC6A3DRD2DRD4SMN1; SMN2
Hydrochloric Acid SCHEMBL1918396 0.72 MAOB (0.46) SLC6A3
SCHEMBL23112572 0.72 CYP2C19 (0.54) —
SCHEMBL8254657 0.70 SLC6A3 (0.48) SLC6A3
SCHEMBL2780627 0.70 SLC6A3 (0.53) SLC6A3
SCHEMBL16007090 0.69 MAOB (0.43) SLC6A3

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-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
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 OPRM1 3834/4885OPRD1 2640/4885OPRK1 2023/4885

“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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