SCHEMBL17320997

SCHEMBL17320997

Cc1cc(CCl)cc(OC2CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KAT6A Q92794 1/20 0.33
ACSL1 P33121 6/20 0.33
PTPN1 P18031 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL17321056 0.82 SLC6A2 (0.43) OPRM1OPRK1KCNH2MEN1KMT2A
SCHEMBL17087214 0.80 SLC6A2 (0.42) OPRM1OPRK1KCNH2MEN1KMT2A
SCHEMBL16727010 0.76 F2 (0.40) KCNH2SLC6A2SLC6A4KAT6A
SCHEMBL1097510 0.76 ALDH1A1 (0.40) KMT2AALDH1A1TSHRMAPK1
SCHEMBL23298916 0.76 SLC6A4 (0.39) OPRM1OPRK1KCNH2MEN1KMT2A
SCHEMBL7621664 0.75 TACR1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15898871 0.75 SLC6A2 (0.40) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL17321008 0.74 HSP90AB1 (0.46) OPRM1OPRK1KCNH2MEN1KMT2A
SCHEMBL1043692 0.73 ALDH1A1 (0.38) KMT2AALDH1A1TSHRMAPK1
SCHEMBL27477530 0.73 ALDH1A1 (0.38) KMT2AALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 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-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 OPRM1 1970/4885OPRK1 1522/4885KCNH2 1984/4885

“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.