SCHEMBL8916596

SCHEMBL8916596

CN1CCCC(C(=O)N2CCOCC2)C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.64
CYP1A2 P05177 1/20 0.57
POLB P06746 3/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.50
PKM P14618 1/20 0.49
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RECQL P46063 1/20 0.47
ALDH1A1 P00352 5/20 0.44
CYP2C19 P33261 1/20 0.44
ACACB O00763 1/20 0.44
ACACA Q13085 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
SCHEMBL12108433 0.86 LMNA (0.61) MAPK1POLBLMNATSHRSMN1; SMN2
SCHEMBL13923290 0.84 LMNA (0.64) LMNATSHRSMN1; SMN2HPGDHTT
SCHEMBL3436956 0.84 LMNA (0.69) MAPK1POLBLMNATSHRSMN1; SMN2
SCHEMBL14654213 0.84 SMN1; SMN2 (0.53) MAPK1CYP1A2POLBLMNATSHR
SCHEMBL12232855 0.81 MAPK1 (0.45) MAPK1CYP1A2POLBLMNATSHR
SCHEMBL12331047 0.81 MAPK1 (0.45) MAPK1CYP1A2POLBLMNATSHR
SCHEMBL12425844 0.81 LMNA (0.51) MAPK1POLBLMNATSHRSMN1; SMN2
SCHEMBL13102222 0.80 CYP1A2 (0.61) MAPK1CYP1A2POLBLMNAHPGD
SCHEMBL1421483 0.80 MAPK1 (0.60) MAPK1CYP1A2POLBLMNATSHR
SCHEMBL4198735 0.80 LMNA (0.50) MAPK1POLBLMNATSHRSMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-05-30 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-7495004-B2 Purine derivatives as liver X receptor agonists GLAXO GROUP LIMITED (GB) 2009-02-24 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO 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-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES ACHE, AADAC, ATL3 MAPK1 4232/4885CYP1A2 253/4885POLB 4561/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 MAPK1 1289/4885CYP1A2 79/4885POLB 4226/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MAPK1 219/4885CYP1A2 979/4885POLB 3851/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A MAPK1 1417/4885CYP1A2 1017/4885POLB 1178/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MAPK1 2765/4885CYP1A2 100/4885POLB 2808/4885

“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.