SCHEMBL779686

SCHEMBL779686

CC1(C#N)CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.51
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 11/20 0.43
EBP Q15125 1/20 0.42
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
MTOR P42345 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL12247403 0.89 SIGMAR1 (0.43) KDM1ASIGMAR1EBPTSHRTP53
SCHEMBL9067330 0.84 KDM1A (0.53) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL20136589 0.82 KDM1A (0.51) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL11742012 0.77 ALDH1A1 (0.39) KMT2AHTR2A
SCHEMBL30128211 0.77 ALDH1A1 (0.39) KMT2AHTR2A
SCHEMBL8589180 0.76 CYP3A4 (0.51) KDM1AKMT2ASIGMAR1TSHRCYP3A4
SCHEMBL6227623 0.75 KDM1A (0.44) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL9583936 0.75 KDM1A (0.51) KDM1AMEN1KMT2ASIGMAR1TSHR
SCHEMBL11472527 0.75 KDM1A (0.44) KDM1AMEN1KMT2ASIGMAR1TSHR
SCHEMBL578812 0.75 KDM1A (0.59) KDM1AMEN1KMT2ASIGMAR1EBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2938341-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2018-09-05 EP disclosed
US-9884844-B2 Heterocyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9884844-B2 Heterocyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9884844-B2 Heterocyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-11-26 US disclosed
US-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-11-26 US disclosed
US-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-11-26 US disclosed
EP-2938341-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2015-11-04 EP disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
WO-2014106238-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FANG, QUN, KEVIN (US) 2014-07-03 WO disclosed
WO-2014106238-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FANG, QUN, KEVIN (US) 2014-07-03 WO disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
EP-0360324-B1 TRICYCLIC AROMATASE INHIBITORS AKZO N.V. (NL) 1992-11-11 EP disclosed
US-5019585-A Tricyclic aromatase inhibitors AKZO N.V. (NL) 1991-05-28 US disclosed
EP-0360324-A1 Tricyclic aromatase inhibitors AKZO N.V. (NL) 1990-03-28 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 (3 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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 KDM1A 2917/4885MEN1 709/4885KMT2A 1403/4885
US-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP KDM1A 2831/4885MEN1 813/4885KMT2A 3252/4885
US-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof GRIN2C, COMT, NLN KDM1A 3995/4885MEN1 2159/4885KMT2A 2037/4885

“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.