SCHEMBL336166

SCHEMBL336166

COc1ccccc1C(C)CN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ACHE P22303 1/20 0.47
IDO1 P14902 3/20 0.46
TDO2 P48775 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ADRA2B P18089 1/20 0.45
PTGS1 P23219 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA1A P35348 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
SCHEMBL6679628 0.81 TSHR (0.57) CA1CA2CA12CA4CA7
SCHEMBL29657286 0.81 TSHR (0.57) CA1CA2CA12CA4CA7
SCHEMBL19355318 0.81 TSHR (0.57) CA1CA2CA12CA4CA7
SCHEMBL11078734 0.81 POLB (0.51) TAAR1CA1CA2CA12CA4
SCHEMBL19314294 0.81 TSHR (0.57) CA1CA2CA12CA4CA7
SCHEMBL15328772 0.79 AGTR1 (0.50) CA1CA2CA12CA4CA7
SCHEMBL1473451 0.79 CA1 (0.48) TAAR1CA1CA2CA12CA4
SCHEMBL8423186 0.79 CA1 (0.48) TAAR1CA1CA2CA12CA4
SCHEMBL15328802 0.79 AGTR1 (0.50) CA1CA2CA12CA4CA7
SCHEMBL30317538 0.79 CA1 (0.48) TAAR1CA1CA2CA12CA4

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4725942-A1 COMPOUNDS ACTIVE ON CYCLIN D1 PATHWAY AND THEIR USE Sibylla Biotech S.p.A. (IT) 2026-04-15 EP disclosed
US-11021465-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-06-01 US disclosed
US-11021465-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-06-01 US disclosed
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 US disclosed
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 US disclosed
EP-3459942-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-12-30 EP disclosed
EP-3459942-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-12-30 EP disclosed
CN-106977495-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-08-04 CN disclosed
US-20200109130-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-09 US disclosed
US-20200062732-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-02-27 US disclosed
US-20130281431-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-20130281431-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP disclosed
EP-1037876-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS Novartis AG (CH) 2000-09-27 EP disclosed
WO-1999023073-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS NOVARTIS AG (CH) 1999-05-14 WO disclosed
US-4897109-A ACYLAMINE DERIVATIVE CIBA-GEIGY CORPORATION (US) 1990-01-30 US disclosed
US-4791098-A 2-methyl-3-(p-methylphenyl)propionitrile, preparation and use thereof as scent BASF AKTIENGESELLSCHAFT (DE) 1988-12-13 US disclosed
EP-0270841-A2 2-Methyl-3-(para-methyl-phenyl) propionitrile, its preparation and use as a perfuming agent BASF Aktiengesellschaft (DE) 1988-06-15 EP 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 (6 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-20200109130-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK TAAR1 4636/4885CA1 4563/4885CA2 2979/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK TAAR1 4636/4885CA1 4563/4885CA2 2979/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK TAAR1 4636/4885CA1 4563/4885CA2 2979/4885
US-20130281431-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK TAAR1 4636/4885CA1 4563/4885CA2 2979/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK TAAR1 4636/4885CA1 4563/4885CA2 2979/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 TAAR1 4408/4885CA1 3677/4885CA2 3065/4885

“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.