SCHEMBL19010163

SCHEMBL19010163

CC(C)C[C@H]1CN(C)Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 18/20 0.51
▸ SLC6A4 P31645 18/20 0.51
▸ SLC6A3 Q01959 17/20 0.51
▸ OPRM1 P35372 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ CYP2D6 P10635 1/20 0.42
▸ PRCP P42785 1/20 0.42

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
SCHEMBL19010153 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL19010164 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL19047009 0.83 OPRM1 (0.41) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL23057926 0.83 OPRM1 (0.41) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL23057925 0.83 OPRM1 (0.41) SLC6A2SLC6A4SLC6A3OPRM1OPRK1
SCHEMBL21081146 0.81 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL19020711 0.81 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL12363801 0.81 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL12363776 0.80 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4332166 0.77 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CAPELLA THERAPEUTICS, INC. (US) 2023-10-17 — — US disclosed
US-11713322-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2023-08-01 — — US disclosed
US-10005765-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2018-06-26 — — US disclosed
US-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS, INC. (US) 2017-06-29 — — US disclosed
US-20170174697-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS, INC. 2017-06-22 — — 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-20170174697-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 SLC6A2 4724/4885SLC6A4 4275/4885SLC6A3 4214/4885
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CCNI, CYP2C19, PHB1 SLC6A2 4110/4885SLC6A4 3419/4885SLC6A3 3983/4885
US-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 SLC6A2 4743/4885SLC6A4 4233/4885SLC6A3 4238/4885
US-11713322-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 SLC6A2 4744/4885SLC6A4 4307/4885SLC6A3 4241/4885
US-10005765-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 SLC6A2 4743/4885SLC6A4 4233/4885SLC6A3 4238/4885

“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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