SCHEMBL14007698

SCHEMBL14007698

c1ccc2c(c1)CC1CCc3ccccc3C1N2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.44
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
IDO1 P14902 2/20 0.39
PDPK1 O15530 1/20 0.39
AR P10275 1/20 0.38
RET P07949 1/20 0.37
HTR2A P28223 1/20 0.37
CYP11B2 P19099 1/20 0.37
CHRNA7 P36544 1/20 0.36

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
SCHEMBL23876659 0.80 PRCP (0.44) PRCPGAASIGMAR1IDO1PDPK1
SCHEMBL11646890 0.77 RAB9A (0.43) PRCPGAARETHTR2A
SCHEMBL10061178 0.76 AURKA (0.46) PRCPSIGMAR1IDO1PDPK1RET
SCHEMBL7799869 0.75 PRCP (0.49) PRCPGAASIGMAR1IDO1PDPK1
SCHEMBL8124731 0.74 MAPT (0.41) PRCPGAAMAPTIDO1AR
SCHEMBL4445356 0.73 MAPT (0.37) GAAMAPTAR
SCHEMBL1724425 0.70 PRCP (0.70) PRCPGAASIGMAR1IDO1PDPK1
SCHEMBL8946291 0.68 MAPT (0.50) GAAMAPT
SCHEMBL667641 0.68 MTNR1A (0.40) GAAMAPT
SCHEMBL666973 0.68 MTNR1A (0.40) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP PRCP 1577/4885GAA 441/4885MAPT 4361/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP PRCP 1577/4885GAA 441/4885MAPT 4361/4885

“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.