SCHEMBL10247692

SCHEMBL10247692

CCC(C)c1ccc(F)c(C2CCOCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RPS6KA3 P51812 1/20 0.35
OPRL1 P41146 3/20 0.35
HTT P42858 1/20 0.34
DUT P33316 2/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL15577422 0.85 RPS6KA3 (0.38) ALDH1A1GAAHPGDRPS6KA3OPRL1
SCHEMBL10192355 0.80 RPS6KA3 (0.35) RPS6KA3OPRL1MAOA
SCHEMBL24987719 0.77 PDE2A (0.41) NPSR1ALDH1A1USP2GAAPKM
SCHEMBL25147461 0.76 RPS6KA3 (0.38) MEN1KMT2AGAARPS6KA3OPRL1
SCHEMBL4803461 0.74 APP (0.36) ALDH1A1HPGDHSD17B10HTT
SCHEMBL765026 0.73 CHRNB2 (0.36) ALDH1A1GAAHPGDHTT
SCHEMBL18407477 0.73 OPRL1 (0.42) GAAHPGDRPS6KA3OPRL1MAOA
SCHEMBL12993750 0.70 ALDH1A1 (0.48) ALDH1A1USP2GAAPKMHPGD
SCHEMBL12650969 0.70 ALDH1A1 (0.48) ALDH1A1USP2GAAPKMHPGD
SCHEMBL10289811 0.70 APP (0.35) ALDH1A1GAAHPGDHTT

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-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 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-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 NPSR1 377/4885MEN1 3651/4885NPC1 815/4885

“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.