SCHEMBL10180722

SCHEMBL10180722

CC(C)CCC1(c2ccccc2F)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.41
SLC6A4 P31645 9/20 0.41
ESR1 P03372 3/20 0.41
HDAC4 P56524 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
SLC6A2 P23975 6/20 0.36
CETP P11597 1/20 0.35

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
SCHEMBL15042437 0.98 ESR1 (0.41) SLC6A3SLC6A4ESR1HDAC4PSEN1
SCHEMBL10178154 0.85 ICMT (0.36) ESR1HDAC4
SCHEMBL15043621 0.82 SLC6A3 (0.44) SLC6A3SLC6A4ESR1HDAC4PSEN1
SCHEMBL15043623 0.80 ESR1 (0.44) SLC6A3SLC6A4ESR1HDAC4PSEN1
SCHEMBL28984518 0.78 SLC6A3 (0.44) SLC6A3SLC6A4ESR1HDAC4PSEN1
SCHEMBL15042370 0.78 HDAC4 (0.42) SLC6A3SLC6A4ESR1HDAC4SLC6A2
SCHEMBL9359639 0.77 SLC6A3 (0.43) SLC6A3SLC6A4ESR1HDAC4SLC6A2
SCHEMBL8931548 0.77 SLC6A3 (0.43) SLC6A3SLC6A4ESR1HDAC4SLC6A2
SCHEMBL12000464 0.74 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2
SCHEMBL10181551 0.74 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 US disclosed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 WO 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-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 SLC6A3 2766/4885SLC6A4 2698/4885ESR1 1485/4885

“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.