SCHEMBL10101346

SCHEMBL10101346

CC1=C(c2ccc(N)cc2)CN(c2ccccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.50
GRIN3B O60391 4/20 0.50
GRIN1 Q05586 4/20 0.50
GRIN2A Q12879 4/20 0.50
GRIN2B Q13224 4/20 0.50
GRIN2C Q14957 4/20 0.50
GRIN3A Q8TCU5 4/20 0.50
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
HTR2A P28223 2/20 0.43
HTR7 P34969 2/20 0.43
DRD3 P35462 2/20 0.43
MAPK1 P28482 2/20 0.42
CHRM1 P11229 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL1782874 0.75 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12603918 0.74 MAPT (0.47) MAPTLMNASMN1; SMN2POLBHTT
SCHEMBL616462 0.74 NPC1 (0.47) MAPTLMNASMN1; SMN2POLBHTT
Hydrochloric Acid SCHEMBL616679 0.73 NPC1 (0.46) MAPTLMNASMN1; SMN2POLBHTT
SCHEMBL1783971 0.73 TRPV1 (0.45) MAPTSMN1; SMN2HSD17B10HTTKDM4E
SCHEMBL7920420 0.73 TRPV1 (0.44) MAPK1MAPTLMNASMN1; SMN2HTT
SCHEMBL8235476 0.73 ALDH1A1 (0.44) DRD2DRD4DRD3MAPK1MAPT
Hydrochloric Acid SCHEMBL1782050 0.72 TRPV1 (0.44) MAPK1MAPTLMNASMN1; SMN2HTT
SCHEMBL615223 0.71 KDM4E (0.43) MAPK1MAPTLMNASMN1; SMN2HTT
SCHEMBL1948815 0.71 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 US disclosed
US-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 US disclosed
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-18 US disclosed
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-18 US disclosed
WO-2009017831-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 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-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP GRIN2D 3466/4885GRIN3B 3860/4885GRIN1 3476/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP GRIN2D 3466/4885GRIN3B 3860/4885GRIN1 3476/4885

“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.