SCHEMBL20187366

SCHEMBL20187366

Cc1nn(C)cc1C1=NCC(F)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KIT P10721 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR4 P22455 1/20 0.30
FGFR3 P22607 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL20187336 0.68 COMT (0.40) COMTALDH1A1POLBSMN1; SMN2PDE3B
Hydrochloric Acid SCHEMBL30007311 0.67 COMT (0.39) COMTALDH1A1POLBSMN1; SMN2PDE3B
SCHEMBL14996664 0.60 POLB (0.54) COMTALDH1A1POLBSMN1; SMN2USP30
SCHEMBL27557137 0.59 COMT (0.36) COMTALDH1A1POLBSMN1; SMN2
SCHEMBL16321045 0.59 ALDH1A1 (0.44) COMTALDH1A1POLBSMN1; SMN2
SCHEMBL27904187 0.59 COMT (0.45) COMTALDH1A1POLBSMN1; SMN2FGFR1
SCHEMBL18124160 0.59 COMT (0.45) COMTALDH1A1POLBSMN1; SMN2
SCHEMBL14996594 0.59 SMN1; SMN2 (0.51) COMTALDH1A1POLBSMN1; SMN2USP30
SCHEMBL19329608 0.59 GAA (0.37) COMTALDH1A1POLBSMN1; SMN2
SCHEMBL3761896 0.59 COMT (0.49) COMTALDH1A1SMN1; SMN2USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110234638-B Heteroaryl phenoxy benzamide KAPPA opioid ligands 辉瑞大药厂 2022-10-21 CN disclosed
EP-3544972-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS Pfizer Inc (US) 2019-10-02 EP disclosed
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 US disclosed
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 US disclosed
WO-2018096510-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 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 (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-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands OPRK1, OPRD1, OPRM1 COMT 236/4885ALDH1A1 1595/4885POLB 3233/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 COMT 236/4885ALDH1A1 1595/4885POLB 3233/4885

“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.