SCHEMBL17952985

SCHEMBL17952985

CC1=Cc2c(-c3ccccc3)cccc2C1CC1C(C)=Cc2c1cccc2N1CCc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
SRD5A1 P18405 2/20 0.33
PRCP P42785 1/20 0.33
ADK P55263 1/20 0.33
DRD1 P21728 2/20 0.32
HTR2A P28223 1/20 0.32
GSK3B P49841 2/20 0.31
GSK3A P49840 1/20 0.31
USP30 Q70CQ3 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL17952983 0.94 L3MBTL1 (0.35) DRD2SMN1; SMN2HTR1ALMNATSHR
SCHEMBL17169024 0.91 SMN1; SMN2 (0.39) SMN1; SMN2SRD5A1PRCPLMNATSHR
SCHEMBL17952987 0.86 JAK2 (0.38) SMN1; SMN2SRD5A1
SCHEMBL17952990 0.86 SMN1; SMN2 (0.34) DRD2SMN1; SMN2HTR1AHTR7SRD5A1
SCHEMBL19336705 0.85 DRD2 (0.34) DRD2SMN1; SMN2HTR1AHTR7SRD5A1
SCHEMBL17169025 0.84 MEN1 (0.38) SMN1; SMN2SRD5A1
SCHEMBL17082306 0.84 HTR1A (0.33) DRD2SMN1; SMN2HTR1AHTR7SRD5A1
SCHEMBL17952986 0.82 RXRA (0.33) SMN1; SMN2HTR1AHTR7TSHR
SCHEMBL17082245 0.82 DRD2 (0.32) DRD2SMN1; SMN2HTR1AHTR7SRD5A1
SCHEMBL17952995 0.81 ROCK1 (0.35) SMN1; SMN2SRD5A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790240-B2 Ligand compound, a preparation method thereof, a transition metal compound, and a preparation method thereof LG CHEM, LTD. (KR) 2017-10-17 US disclosed
US-20160215004-A1 A NOVEL LIGAND COMPOUND, A PREPARATION METHOD THEREOF, A TRANSITION METAL COMPOUND, AND A PREPARATION METHOD THEREOF LG CHEM, LTD. (KR) 2016-07-28 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-20160215004-A1 A NOVEL LIGAND COMPOUND, A PREPARATION METHOD THEREOF, A TRANSITION METAL COMPOUND, AND A PREPARATION METHOD THEREOF CD40LG, OSTC, TNFSF10 DRD2 2028/4885SMN1; SMN2 4715/4885HTR1A 4211/4885

“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.