SCHEMBL310736

SCHEMBL310736

Fc1ccc(-c2cnc(C3CCN(Cc4ccccc4)CC3)[nH]2)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.66
SSTR3 P32745 1/20 0.54
SSTR5 P35346 1/20 0.54
KCNH2 Q12809 1/20 0.54
CNR1 P21554 5/20 0.51
CNR2 P34972 5/20 0.51
USP30 Q70CQ3 1/20 0.49
MCHR1 Q99705 1/20 0.49
DRD4 P21917 6/20 0.47
DRD2 P14416 5/20 0.47
DRD3 P35462 5/20 0.47
HTR2B P41595 1/20 0.46
AXL P30530 1/20 0.44
PRCP P42785 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AKT1 P31749 1/20 0.43

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
SCHEMBL15732689 0.92 HPGDS (0.68) HPGDSSSTR3SSTR5KCNH2CNR1
SCHEMBL2313236 0.79 HPGDS (1.00) HPGDSSSTR3SSTR5KCNH2USP30
Hydrochloric Acid SCHEMBL311789 0.78 HPGDS (0.52) HPGDSRPS6KB1AKT1
SCHEMBL2318138 0.74 HPGDS (0.89) HPGDSSSTR3SSTR5KCNH2USP30
SCHEMBL15732571 0.72 DRD2 (0.48) DRD4DRD2DRD3AXLRPS6KB1
Hydrochloric Acid SCHEMBL15732557 0.71 RPS6KB1 (0.69) RPS6KB1AKT1
SCHEMBL310981 0.71 RPS6KB1 (0.51) DRD4DRD2DRD3AXLRPS6KB1
Hydrochloric Acid SCHEMBL29878855 0.70 USP30 (0.87) HPGDSKCNH2USP30DRD4DRD2
SCHEMBL15732682 0.70 DRD2 (0.46) CNR2DRD4DRD2DRD3AXL
SCHEMBL12122664 0.69 CNR2 (0.64) HPGDSCNR1CNR2USP30DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
CN-101679439-B P70S 6 kinase inhibitors LILLY CO ELI 2013-09-11 CN disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
CN-101679439-A P70S 6 kinase inhibitors LILLY CO ELI 2010-03-24 CN disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 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 (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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 HPGDS 2334/4885SSTR3 2133/4885SSTR5 1241/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 HPGDS 2334/4885SSTR3 2133/4885SSTR5 1241/4885

“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.