SCHEMBL2908246

SCHEMBL2908246

CCN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
ALDH1A1 P00352 9/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 6/20 0.54
MAPT P10636 4/20 0.54
HSD17B10 Q99714 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
USP2 O75604 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 4/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 3/20 0.51
NPC1 O15118 2/20 0.51
MAPK1 P28482 2/20 0.50
SSTR5 P35346 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL2909895 0.89 DRD2 (0.56) DRD2DRD4DRD3ALDH1A1L3MBTL1
SCHEMBL19621091 0.86 ALDH1A1 (0.68) DRD2DRD4DRD3ALDH1A1L3MBTL1
SCHEMBL19621115 0.84 ALDH1A1 (0.56) DRD2DRD4DRD3ALDH1A1L3MBTL1
SCHEMBL13210652 0.84 ALDH1A1 (0.60) DRD2DRD4DRD3ALDH1A1L3MBTL1
SCHEMBL2908465 0.84 ALDH1A1 (0.53) DRD2DRD4DRD3ALDH1A1L3MBTL1
SCHEMBL12943711 0.79 KDM4E (0.69) DRD2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL2908473 0.78 KDM4E (0.53) DRD2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL10058002 0.77 KDM4E (0.62) DRD2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL2901692 0.76 KDM4E (0.60) DRD2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL2902349 0.75 KDM4E (0.56) ALDH1A1L3MBTL1KDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP claimed
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP disclosed
EP-1851236-B1 MACROLIDES WITH ANTI-INFLAMMATORY ACTIVITY GLAXOSMITHKLINE ZAGREB (HR) 2010-08-04 EP disclosed
US-7566709-B2 1,3,4-Substituted pyrazoles as 5-HT receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2009-07-28 US disclosed
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2007-05-10 US 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 (1 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-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders HTR1A, HTR1D, HTR5A DRD2 28/4885DRD4 110/4885DRD3 43/4885

“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.