SCHEMBL16806005

SCHEMBL16806005

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2E1 P05181 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C8 P10632 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP4B1 P13584 1/20 0.44
▸ CYP2B6 P20813 1/20 0.44
▸ CYP3A5 P20815 1/20 0.44
▸ CYP2A7 P20853 1/20 0.44
▸ CYP3A7 P24462 1/20 0.44
▸ CYP2F1 P24903 1/20 0.44
▸ CYP2C18 P33260 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CYP2J2 P51589 1/20 0.44
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4F8 P98187 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44

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
SCHEMBL16806011 0.87 PDE4B (0.45) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL16806016 0.86 CYP1A1 (0.54) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL16806029 0.82 AKR1C3 (0.51) HSD17B10SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL16805982 0.81 KIT (0.45) CYP1A2CYP3A4CYP2D6CYP2C19CD274
SCHEMBL16809183 0.80 HCRTR1 (0.44) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL16806006 0.80 ACHE (0.41) CYP3A4CD274NPC1RAB9ASMN1; SMN2
SCHEMBL15906120 0.78 ACHE (0.52) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL13241156 0.77 ALDH1A1 (0.47) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL16805983 0.76 MAPT (0.41) CYP1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3120503 0.75 TSHR (0.44) CYP1A2CYP2C9CYP2C19HSD17B10NPC1

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 CYP1A1 398/4885CYP1A2 834/4885CYP2E1 1046/4885
US-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R CYP1A1 445/4885CYP1A2 754/4885CYP2E1 1138/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R CYP1A1 445/4885CYP1A2 754/4885CYP2E1 1138/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R CYP1A1 445/4885CYP1A2 754/4885CYP2E1 1138/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R CYP1A1 445/4885CYP1A2 754/4885CYP2E1 1138/4885

“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.

Send feedback