SCHEMBL6921076

SCHEMBL6921076

COc1ccc(C(CC(=O)O)Cn2c3c(c4cc(Cl)ccc42)C2CCC(C3)N2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
HTR6 P50406 4/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
MCHR1 Q99705 1/20 0.36
KMT2A Q03164 2/20 0.35
CCR2 P41597 1/20 0.35
MEN1 O00255 1/20 0.35
RGS12 O14924 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 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
SCHEMBL6921310 0.93 HTR6 (0.41) HTR6PTGDR2MCHR1KMT2AMEN1
SCHEMBL6922003 0.92 HTR6 (0.38) FNTAFNTBHTR6PTGDR2CCR2
SCHEMBL14729251 0.91 FNTA (0.38) FNTAFNTBHTR6KMT2AMEN1
SCHEMBL13834550 0.91 HTR6 (0.40) FNTAFNTBHTR6PTGDR2KMT2A
SCHEMBL6920852 0.90 HTR6 (0.37) HTR6PTGDR2ALDH1A1MAPTSLC6A4
SCHEMBL6921165 0.85 PTGDR2 (0.38) HTR6PTGDR2MCHR1
SCHEMBL6921050 0.84 HTR6 (0.38) HTR6PTGDR2CYP3A4CYP2C9CYP2C19
SCHEMBL6921324 0.84 HTR6 (0.37) HTR6ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL14729252 0.84 BAZ2B (0.39) HTR6CYP3A4CYP2C9CYP2C19SLC6A4
SCHEMBL13834455 0.84 HTR6 (0.43) HTR6PTGDR2KMT2AMEN1LMNA

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
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
WO-2011038164-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 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-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C FNTA 3048/4885FNTB 3306/4885HTR6 22/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C FNTA 3048/4885FNTB 3306/4885HTR6 22/4885

“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.