SCHEMBL124075

SCHEMBL124075

Cc1c(CN2CCN(c3cccnc3Cl)CC2)cnn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
DRD4 P21917 6/20 0.45
DRD3 P35462 5/20 0.45
DRD2 P14416 4/20 0.45
SMO Q99835 2/20 0.45
TRPC5 Q9UL62 2/20 0.44
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
MPI P34949 1/20 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
SCHEMBL125936 0.86 DRD4 (0.44) DRD4DRD3DRD2SMOTRPC5
SCHEMBL125413 0.84 DRD4 (0.69) DRD4DRD3DRD2SMORAB9A
SCHEMBL122998 0.81 CNR1 (0.48) CNR1CNR2DRD4DRD3DRD2
Hydrochloric Acid SCHEMBL3321258 0.81 CNR1 (0.47) CNR1CNR2DRD4DRD3DRD2
SCHEMBL9961695 0.80 POLB (0.46) DRD4DRD3DRD2SMOTRPC5
Hydrochloric Acid SCHEMBL3321183 0.79 POLB (0.45) DRD4DRD3DRD2SMOTRPC5
SCHEMBL172175 0.78 CNR1 (0.42) CNR1CNR2DRD4DRD3DRD2
Hydrochloric Acid SCHEMBL124926 0.77 CNR1 (0.42) CNR1CNR2DRD4DRD3DRD2
SCHEMBL9961777 0.73 CNR1 (0.59) CNR1CNR2DRD4DRD3DRD2
SCHEMBL9961711 0.73 CNR1 (0.46) CNR1CNR2DRD4DRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 EP disclosed
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 EP disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 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-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C CNR1 22/4885CNR2 24/4885DRD4 349/4885

“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.