SCHEMBL1506320

SCHEMBL1506320

O=C1CC(Cc2ccc(Br)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ CYP19A1 P11511 1/20 0.36
▸ MDM2 Q00987 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ IDO1 P14902 1/20 0.34

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
SCHEMBL428508 0.78 GBA1 (0.50) CYP19A1KMT2A
SCHEMBL1119520 0.78 SLC6A2 (0.46) SLC6A2SLC6A4HTR2ATAAR1IDO1
Ammonia Solution, Strong SCHEMBL987776 0.76 SLC6A2 (0.45) SLC6A2SLC6A4HTR2ATAAR1IDO1
SCHEMBL2785808 0.75 POLB (0.46) POLBCYP19A1MDM2HTR2ATAAR1
SCHEMBL10699635 0.75 POLB (0.41) POLB
SCHEMBL23574239 0.74 SLC6A2 (0.44) SLC6A2SLC6A4KMT2A
SCHEMBL6770189 0.74 KMT2A (0.46) SLC6A2SLC6A4KMT2A
SCHEMBL24622493 0.73 SLC6A2 (0.41) SLC6A2SLC6A4HTR2ATAAR1IDO1
SCHEMBL16572190 0.72 NPC1 (0.39) POLBCYP19A1MDM2SLC6A2SLC6A4
SCHEMBL19110509 0.72 LTA4H (0.46) SLC6A2SLC6A4KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888523-B1 CYCLOBUTYL AMINE DERIVATIVES ABBOTT LAB (US) 2011-10-26 — — EP disclosed
EP-2298734-A2 Cyclobutyl amine derivatives Abbott Laboratories (US) 2011-03-23 — — EP disclosed
US-20090227593-A1 CYCLOBUTYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-09-10 — — US disclosed
US-7553964-B2 Cyclobutyl amine derivatives ABBOTT LABORATORIES (US) 2009-06-30 — — US disclosed
EP-1888523-A2 CYCLOBUTYL AMINE DERIVATIVES Abbott Laboratories (US) 2008-02-20 — — EP disclosed
US-20070078133-A1 Cyclobutyl amine derivatives ABBVIE INC. 2007-04-05 — — US disclosed
WO-2006132914-A2 CYCLOBUTYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2006-12-14 — — 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 (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-20090227593-A1 CYCLOBUTYL AMINE DERIVATIVES HRH2, HRH4, HRH3 POLB 3195/4885CYP19A1 1530/4885MDM2 4468/4885
US-20070078133-A1 Cyclobutyl amine derivatives HRH2, HRH4, HRH3 POLB 3195/4885CYP19A1 1530/4885MDM2 4468/4885

“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.

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