SCHEMBL4184624

SCHEMBL4184624

O=C(NC1CC1)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.52
▸ CRHR1 P34998 9/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ NTRK1 P04629 1/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ TAS1R2 Q8TE23 1/20 0.48
▸ ACKR3 P25106 1/20 0.48
▸ SMYD3 Q9H7B4 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46

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
SCHEMBL12724987 0.87 HPGD (0.51) HPGDALDH1A1POLBKDM4ETAS1R3
SCHEMBL13493618 0.81 KDM1A (0.57) HPGDALDH1A1POLBKDM4EHTT
SCHEMBL9967851 0.81 RAB9A (0.48) HPGDALDH1A1GAA
SCHEMBL4191547 0.81 HPGD (0.71) HPGDALDH1A1POLBACKR3SMYD3
SCHEMBL28188798 0.78 GAA (0.57) HPGDALDH1A1KDM4EHTTRXFP1
SCHEMBL3343302 0.78 HPGD (0.55) HPGDALDH1A1HTTGAATAS1R3
SCHEMBL7987541 0.78 CRBN (0.60) HPGDALDH1A1POLBKDM4ETAS1R3
SCHEMBL10282411 0.78 TAS1R3 (0.62) HPGDALDH1A1POLBTAS1R3TAS1R1
SCHEMBL31567826 0.78 CRBN (0.60) HPGDALDH1A1POLBKDM4ETAS1R3
SCHEMBL3225623 0.78 HPGD (0.55) HPGDALDH1A1POLBKDM4ETAS1R3

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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 — — 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 HPGD 2246/4885CRHR1 372/4885ALDH1A1 2269/4885

“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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