SCHEMBL8104014

SCHEMBL8104014

CC(C)CCN1CCC(c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.68
SLC18A3 Q16572 3/20 0.63
CARM1 Q86X55 1/20 0.62
PRMT6 Q96LA8 1/20 0.62
SIGMAR1 Q99720 4/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
CCR5 P51681 3/20 0.55
PRCP P42785 1/20 0.54
GRM2 Q14416 2/20 0.53
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL9967730 0.90 DRD2 (0.64) DRD2SLC18A3CARM1PRMT6SIGMAR1
SCHEMBL29110823 0.89 SLC18A3 (0.66) DRD2SLC18A3CARM1PRMT6SIGMAR1
SCHEMBL22623921 0.84 DRD2 (0.72) DRD2SIGMAR1PRCPDRD1DRD4
SCHEMBL1099798 0.83 SLC18A3 (0.67) DRD2SLC18A3CARM1PRMT6SIGMAR1
SCHEMBL19235999 0.82 DRD2 (0.72) DRD2SIGMAR1PRCPDRD1DRD4
SCHEMBL23374659 0.81 SLC18A3 (0.56) DRD2SLC18A3CARM1PRMT6SIGMAR1
SCHEMBL12768109 0.81 SLC18A3 (0.56) DRD2SLC18A3CARM1PRMT6SIGMAR1
SCHEMBL12447397 0.81 SLC18A3 (0.56) DRD2SLC18A3CARM1PRMT6SIGMAR1
SCHEMBL3399715 0.81 DRD2 (1.00) DRD2SLC18A3CARM1PRMT6SIGMAR1
Hydrochloric Acid SCHEMBL7259165 0.79 SIGMAR1 (0.75) DRD2SLC18A3CARM1PRMT6SIGMAR1

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-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 US disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 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-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 DRD2 4744/4885SLC18A3 4082/4885CARM1 2627/4885
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 DRD2 4161/4885SLC18A3 3374/4885CARM1 3420/4885

“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.