SCHEMBL3761954

SCHEMBL3761954

[CH2]CCCc1c(F)cccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.63
GAA P10253 1/20 0.50
DAO P14920 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
BACE1 P56817 1/20 0.44
KDM4E B2RXH2 1/20 0.42
CYP2A13 Q16696 1/20 0.42
CNR1 P21554 1/20 0.42
PKM P14618 1/20 0.42
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3760420 0.88 TAAR1 (0.68) TAAR1GAADAOKMT2AMEN1
SCHEMBL6130256 0.86 TAAR1 (0.42) TAAR1GAADAOKMT2AMEN1
SCHEMBL3757556 0.86 TAAR1 (0.54) TAAR1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL2222708 0.82 TAAR1 (0.78) TAAR1GAADAOKMT2AMEN1
SCHEMBL2199784 0.81 TAAR1 (0.63) TAAR1GAADAOKMT2AMEN1
SCHEMBL14959685 0.81 TAAR1 (0.63) TAAR1GAADAOKMT2AMEN1
SCHEMBL145823 0.79 TAAR1 (0.61) TAAR1GAADAOKMT2AMEN1
SCHEMBL27749394 0.79 MEN1 (0.62) TAAR1GAADAOKMT2AMEN1
SCHEMBL9046154 0.78 TAAR1 (0.42) TAAR1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL9046621 0.78 ACHE (0.43) TAAR1GAADAOKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP claimed
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US disclosed
EP-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP 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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT TAAR1 3778/4885GAA 141/4885DAO 257/4885

“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.