SCHEMBL7450461

SCHEMBL7450461

Cc1ccc2ccc3nccnc3c2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.65
CCR5 P51681 4/20 0.65
RAB9A P51151 1/20 0.65
LMNA P02545 4/20 0.44
METAP2 P50579 1/20 0.44
CYP1A2 P05177 3/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CASP6 P55212 1/20 0.39
CCR8 P51685 3/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
Neocuproine SCHEMBL2415313 0.81 CCR1 (0.88) CCR1CCR5RAB9ALMNAMETAP2
Neocuproine SCHEMBL18047476 0.81 CCR1 (0.88) CCR1CCR5RAB9ALMNAMETAP2
Neocuproine SCHEMBL29639703 0.81 CCR1 (1.00) CCR1CCR5RAB9ALMNAMETAP2
Neocuproine SCHEMBL11672280 0.81 CCR1 (1.00) CCR1CCR5RAB9ALMNAMETAP2
Neocuproine SCHEMBL29367091 0.81 CCR1 (1.00) CCR1CCR5RAB9ALMNAMETAP2
Neocuproine SCHEMBL124563 0.81 CCR1 (1.00) CCR1CCR5RAB9ALMNAMETAP2
SCHEMBL29400608 0.78 CCR1 (0.70) CCR1CCR5RAB9ALMNAMETAP2
SCHEMBL3193864 0.78 CCR1 (0.70) CCR1CCR5RAB9ALMNAMETAP2
SCHEMBL7519332 0.78 CCR1 (0.46) CCR1CCR5RAB9ALMNAMETAP2
Neocuproine SCHEMBL870750 0.78 CCR1 (0.94) CCR1CCR5RAB9ALMNAMETAP2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
EP-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
EP-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 EP disclosed
EP-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 EP disclosed
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 US disclosed
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 US disclosed
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-06-18 US disclosed
US-8969349-B2 Substituted quinoxalines and quinoxalinones as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2015-03-03 US disclosed
US-8969349-B2 Substituted quinoxalines and quinoxalinones as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2015-03-03 US disclosed
US-8969349-B2 Substituted quinoxalines and quinoxalinones as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2015-03-03 US disclosed
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2013-06-20 US disclosed
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2013-06-20 US disclosed
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2013-06-20 US disclosed
EP-2576540-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2013-04-10 EP disclosed
WO-2011150156-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-12-01 WO disclosed
WO-2011150156-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-12-01 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 (4 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-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS PDE10A, PDE2A, PDE3A CCR1 3298/4885CCR5 2759/4885RAB9A 127/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN CCR1 3722/4885CCR5 4191/4885RAB9A 957/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A CCR1 3552/4885CCR5 2271/4885RAB9A 201/4885
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof COMT, GPR119, NLN CCR1 3722/4885CCR5 4191/4885RAB9A 957/4885

“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.