SCHEMBL16809183

SCHEMBL16809183

COc1ccc(-c2cccc(OC(F)(F)F)c2)c(C)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.44
▸ HCRTR2 O43614 1/20 0.44
▸ DHODH Q02127 1/20 0.44
▸ PDE4B Q07343 1/20 0.43
▸ CTSA P10619 5/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2E1 P05181 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP4B1 P13584 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41
▸ CYP3A5 P20815 1/20 0.41
▸ CYP2A7 P20853 1/20 0.41
▸ CYP3A7 P24462 1/20 0.41
▸ CYP2F1 P24903 1/20 0.41
▸ CYP2C18 P33260 1/20 0.41

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
SCHEMBL16806016 0.87 CYP1A1 (0.54) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL16805992 0.83 SCN5A (0.44) HCRTR1HCRTR2MEN1ALDH1A1KMT2A
SCHEMBL16806029 0.81 AKR1C3 (0.51) HCRTR1HCRTR2PDE4BALDH1A1
SCHEMBL16806005 0.80 CYP1A1 (0.44) HCRTR1HCRTR2CYP1A1CYP1A2CYP2E1
SCHEMBL16806011 0.80 PDE4B (0.45) PDE4BCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL30046616 0.75 PIM1 (0.39) DHODHPDE4BCTSACYP1A1CYP1A2
SCHEMBL16805982 0.74 KIT (0.45) HCRTR1HCRTR2CYP1A2CYP3A4CYP2D6
SCHEMBL25836130 0.74 DHODH (0.49) DHODHDYRK1AKCNH2SCN10A
SCHEMBL5542629 0.72 ADORA2A (0.47) DHODHDYRK1AADORA2AADORA1S1PR1
SCHEMBL10094691 0.71 GPR3 (0.44) DHODHPIM1PIM2DYRK1AADORA2A

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
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-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

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 HCRTR1 1/4885HCRTR2 2/4885DHODH 3427/4885
US-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885DHODH 3517/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885DHODH 3517/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885DHODH 3517/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885DHODH 3517/4885

“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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