SCHEMBL791901

SCHEMBL791901

COC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LTA4H P09960 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
TEAD1 P28347 2/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
CXCR3 P49682 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL12082512 0.86 ALDH1A1 (0.56) MEN1KMT2AALDH1A1LTA4HTEAD1
SCHEMBL28375594 0.85 LTA4H (0.52) MEN1KMT2AALDH1A1KDM4ELTA4H
SCHEMBL3866505 0.85 LTA4H (0.52) LTA4HSIGMAR1HRH3ACHEOPRM1
SCHEMBL1428200 0.85 KDM4E (0.53) ALDH1A1KDM4ELTA4HSIGMAR1CARM1
SCHEMBL3158273 0.85 LMNA (0.57) ALDH1A1LTA4HSIGMAR1HRH3ACHE
SCHEMBL27891330 0.85 SIGMAR1 (0.63) MEN1KMT2ALTA4HSIGMAR1ACHE
SCHEMBL8096431 0.84 ACHE (0.66) MEN1KMT2ALTA4HSIGMAR1HRH3
SCHEMBL2237928 0.82 NCF1 (0.63) MEN1KMT2ALTA4HCARM1PRMT6
SCHEMBL12449546 0.82 TEAD1 (0.54) MEN1KMT2ALTA4HSIGMAR1TEAD1
SCHEMBL995966 0.81 LTA4H (0.49) MEN1KMT2ALTA4HHRH3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20090082389-A1 PESTICIDAL SUBSTITUTED PIPERIDINES MERIAL LIMITED 2009-03-26 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
EP-1848274-A1 PESTICIDAL SUBSTITUTED PIPERIDINES Merial Ltd. (US) 2007-10-31 EP 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
WO-2006087162-A1 PESTICIDAL SUBSTITUTED PIPERIDINES MERIAL LTD. (US) 2006-08-24 WO disclosed
EP-1692939-A1 Pesticidal substituted piperidines Bayer CropScience S.A. (FR) 2006-08-23 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 (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-20090082389-A1 PESTICIDAL SUBSTITUTED PIPERIDINES PIR, ACHE, PREP MEN1 3087/4885KMT2A 1468/4885ALDH1A1 262/4885
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 MEN1 4753/4885KMT2A 1865/4885ALDH1A1 750/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI MEN1 4807/4885KMT2A 2259/4885ALDH1A1 596/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI MEN1 4807/4885KMT2A 2259/4885ALDH1A1 596/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MEN1 4753/4885KMT2A 1865/4885ALDH1A1 750/4885

“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.