SCHEMBL16806004

SCHEMBL16806004

COc1ccc(-c2ccc(C#N)cc2)c(C)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.43
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ AR P10275 3/20 0.40
▸ CYP11B2 P19099 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KIT P10721 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ ACLY P53396 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ ALPL P05186 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ SQOR Q9Y6N5 1/20 0.36
▸ MAPKAPK2 P49137 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
SCHEMBL14499513 0.88 KDM1A (0.43) KDM1ACYP1A1CYP1B1HCRTR1HCRTR2
SCHEMBL7283631 0.85 KDM1A (0.46) KDM1ACYP1A1CYP1B1ARCYP11B2
SCHEMBL16805982 0.82 KIT (0.45) HCRTR1HCRTR2ARKITACLY
SCHEMBL16806006 0.82 ACHE (0.41) PTGS1ALDH1A1
SCHEMBL16805983 0.82 MAPT (0.41) CYP1A1CYP1B1PTGS1ALDH1A1SQOR
SCHEMBL16805991 0.80 MEN1 (0.45) CYP1A1CYP1B1CA12CA1CA2
SCHEMBL4600487 0.78 ERN1 (0.43) KDM1ACYP1A1CYP1B1ARCYP11B2
SCHEMBL13802630 0.78 FYN (0.47) KDM1AARCYP11B2FYNALDH1A1
SCHEMBL4599474 0.77 ERN1 (0.42) KDM1ACYP1A1CYP1B1CA12CA1
SCHEMBL16945932 0.77 PTGS2 (0.47) KDM1ACYP1A1CYP1B1ARCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 — — US disclosed
WO-2020007964-A1 2-(2-AZABICYCLO[3.1.0]HEXAN-1-YL)-1H-BENZIMIDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-01-09 — — WO disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 — — US disclosed
US-10329287-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-25 — — US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 — — US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 — — US disclosed
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 — — EP disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 — — US disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 — — 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 (5 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-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R KDM1A 689/4885CYP1A1 398/4885CYP1B1 203/4885
US-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R KDM1A 740/4885CYP1A1 445/4885CYP1B1 211/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R KDM1A 740/4885CYP1A1 445/4885CYP1B1 211/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R KDM1A 740/4885CYP1A1 445/4885CYP1B1 211/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R KDM1A 740/4885CYP1A1 445/4885CYP1B1 211/4885

“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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