SCHEMBL311119

SCHEMBL311119

CC(N)C(=O)c1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.58
▸ CES2 O00748 2/20 0.57
▸ CES1 P23141 2/20 0.57
▸ CHRNB2 P17787 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ CHRNB4 P30926 1/20 0.56
▸ CHRNA3 P32297 1/20 0.56
▸ CHRNA4 P43681 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ PLA2G7 Q13093 1/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ OPRL1 P41146 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 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
SCHEMBL8015553 0.85 CES2 (0.61) PARP1CES2CES1CHRNB2SLC6A2
SCHEMBL15732700 0.83 CHRNB2 (0.46) PARP1CES2CES1CHRNB2SLC6A2
SCHEMBL15007480 0.83 CES2 (0.64) PARP1CES2CES1CHRNB2SLC6A2
SCHEMBL2599161 0.83 CES2 (0.64) PARP1CES2CES1CHRNB2SLC6A2
SCHEMBL5883596 0.83 CES2 (0.59) PARP1CES2CES1CHRNB2SLC6A2
SCHEMBL8400060 0.81 PARP1 (0.58) PARP1CES2CES1CHRNB2SLC6A2
SCHEMBL312334 0.81 CES2 (0.57) PARP1CES2CES1CHRNB2SLC6A2
Alanine SCHEMBL29009328 0.80 PTGS1 (0.55) PARP1CES2CES1NPC1RAB9A
SCHEMBL9040297 0.79 PARP1 (0.60) PARP1CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL9041395 0.79 PBRM1 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 — — US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 — — US disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 — — US disclosed
CN-1031941-C Process for preparing fluoroethylcamptothecin derivatives KYORIN SEIYAKU KK (JP) 1996-06-05 — — CN disclosed
EP-0471358-B1 Fluoroethylcamptothecin derivatives KYORIN SEIYAKU KK (JP) 1996-05-08 — — EP disclosed
EP-0325247-B1 CAMPTOTHECIN DERIVATIVES AND PROCESS FOR PREPARING SAME KABUSHIKI KAISHA YAKULT HONSHA (JP) 1993-05-19 — — EP disclosed
CN-1060095-A Fluoroethylcamptothederivatives derivatives KYORIN SEIYAKU KK (JP) 1992-04-08 — — CN disclosed
EP-0471358-A1 Fluoroethylcamptothecin derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-02-19 — — EP disclosed
US-5061800-A ANTITUMOR AGENTS KABUSHIKI KAISHA YAKULT HONSHA (JP) 1991-10-29 — — US disclosed
EP-0325247-A1 Camptothecin derivatives and process for preparing same KABUSHIKI KAISHA YAKULT HONSHA (JP) 1989-07-26 — — 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 (2 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 PARP1 2880/4885CES2 3644/4885CES1 3010/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 PARP1 2880/4885CES2 3644/4885CES1 3010/4885

“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