SCHEMBL4253493

SCHEMBL4253493

Cc1ccc2c(n1)NC(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.45
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
ALOX5 P09917 1/20 0.31
ADRA2A P08913 1/20 0.31
CCR1 P32246 1/20 0.30
RAB9A P51151 1/20 0.30
CCR5 P51681 1/20 0.30

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
SCHEMBL7922389 0.81 HTR2A (0.40) PDE10AHTR2AHTR2CHTR2BKCNH2
SCHEMBL21767378 0.81 PDE10A (0.42) PDE10AHTR2AHTR2CHTR2BKCNH2
SCHEMBL21767388 0.81 PDE10A (0.42) PDE10AHTR2AHTR2CHTR2BKCNH2
SCHEMBL21767380 0.81 PDE10A (0.42) PDE10AHTR2AHTR2CHTR2BKCNH2
SCHEMBL31072001 0.81 PDE10A (0.42) PDE10AHTR2AHTR2CHTR2BKCNH2
SCHEMBL19056900 0.77 CCR1 (0.42) PDE10AHTR2AHTR2CHTR2BKCNH2
SCHEMBL16668842 0.74 PDE10A (0.38) PDE10A
SCHEMBL20153763 0.74 PDE10A (0.54) PDE10AHTR2AHTR2CHTR2BDRD2
SCHEMBL4068530 0.74 PDE10A (0.34) PDE10A
SCHEMBL7556092 0.72 PDE10A (0.52) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925762-B1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUNOVION PHARMACEUTICALS INC (US) 2017-07-05 EP disclosed
EP-2925762-B1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUNOVION PHARMACEUTICALS INC (US) 2017-07-05 EP disclosed
US-9670230-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-06-06 US disclosed
US-9670230-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-06-06 US disclosed
US-20150291626-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2015-10-15 US disclosed
US-20150291626-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2015-10-15 US disclosed
EP-2925762-A1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM Sunovion Pharmaceuticals Inc. (US) 2015-10-07 EP disclosed
WO-2014085284-A1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUNOVION PHARMACEUTICALS INC. (US) 2014-06-05 WO disclosed
WO-2014085284-A1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUNOVION PHARMACEUTICALS INC. (US) 2014-06-05 WO disclosed
EP-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 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 (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-20150291626-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN PDE10A 2086/4885HTR2A 24/4885HTR2C 16/4885
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B PDE10A 2029/4885HTR2A 1003/4885HTR2C 2388/4885

“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.