SCHEMBL6367176

SCHEMBL6367176

N=C(N)CCCN1CC=C(c2ccc(F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.61
SIGMAR1 Q99720 6/20 0.60
MAPK1 P28482 1/20 0.46
PARP1 P09874 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 1/20 0.45
CYP2D6 P10635 1/20 0.45
THPO P40225 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR7 P34969 1/20 0.44
LMNA P02545 1/20 0.44
PMP22 Q01453 1/20 0.44

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
SCHEMBL6373489 0.88 SIGMAR1 (0.55) DRD2SIGMAR1PARP1HTR1AHTR7
SCHEMBL6367626 0.88 SIGMAR1 (0.54) DRD2SIGMAR1
SCHEMBL6368144 0.87 SIGMAR1 (0.55) DRD2SIGMAR1PARP1HTR1A
SCHEMBL6373296 0.87 DRD2 (0.61) DRD2SIGMAR1PARP1HTR1A
SCHEMBL6374778 0.86 SIGMAR1 (0.58) DRD2SIGMAR1HTR1A
SCHEMBL6374865 0.86 PARP1 (0.48) DRD2SIGMAR1PARP1HTR7
SCHEMBL8010714 0.84 SIGMAR1 (0.72) DRD2SIGMAR1MAPK1PARP1MEN1
SCHEMBL6437335 0.84 SIGMAR1 (0.58) DRD2SIGMAR1PARP1MEN1KMT2A
SCHEMBL6367451 0.83 DRD2 (0.44) DRD2SIGMAR1CYP2D6THPO
SCHEMBL7964089 0.81 DRD2 (0.64) DRD2SIGMAR1PARP1HTR1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080096-A1 Condensed heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-14 US disclosed
EP-1469854-A1 CONDENSED HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-27 EP disclosed
WO-2003063874-A1 CONDENSED HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-07 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 (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-20050080096-A1 Condensed heterocyclic compounds PARP1, PARP2, PARP3 DRD2 1026/4885SIGMAR1 3797/4885MAPK1 1706/4885

“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.