SCHEMBL791665

SCHEMBL791665

COC[C@@H]1CCCN1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.63
EGLN1 Q9GZT9 1/20 0.63
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC1 Q13547 1/20 0.62
FAAH O00519 4/20 0.55
SPHK2 Q9NRA0 2/20 0.51
SPHK1 Q9NYA1 2/20 0.51
DRD2 P14416 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50

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
SCHEMBL18801723 1.00 VEGFA (0.63) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL22587046 0.90 VEGFA (0.53) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL13479179 0.86 HDAC8 (0.64) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL12642706 0.85 HDAC8 (0.67) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL1241170 0.85 HDAC8 (0.67) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL3565573 0.85 HDAC8 (0.63) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL3569375 0.85 HDAC8 (0.63) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL18700880 0.85 FAAH (0.53) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL18700879 0.85 FAAH (0.53) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL1241175 0.85 HDAC8 (0.67) VEGFAEGLN1HDAC8HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023274383-A1 KRAS G12D INHIBITOR AND USE THEREOF 上海迪诺医药科技有限公司 2023-01-05 WO disclosed
WO-2021063346-A1 KRAS G12C INHIBITOR AND APPLICATION THEREOF 上海迪诺医药科技有限公司 2021-04-08 WO disclosed
EP-2585064-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2017-05-03 EP disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-7388016-B2 Dibenzonaphthyridine derivatives and methods of use thereof WYETH (US) 2008-06-17 US disclosed
US-20070135429-A1 Dibenzonaphthyridine derivatives and methods of use thereof WYETH (US) 2007-06-14 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 VEGFA 3726/4885EGLN1 4406/4885HDAC8 380/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI VEGFA 3964/4885EGLN1 4140/4885HDAC8 432/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI VEGFA 3964/4885EGLN1 4140/4885HDAC8 432/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 VEGFA 3726/4885EGLN1 4406/4885HDAC8 380/4885
US-20070135429-A1 Dibenzonaphthyridine derivatives and methods of use thereof FANCD2, DDT, BRCA1 VEGFA 1957/4885EGLN1 4082/4885HDAC8 3206/4885

“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.