SCHEMBL3390180

SCHEMBL3390180

O=C(N[C@H]1CCCc2ccccc21)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TAS1R3 Q7RTX0 10/20 0.52
TAS1R1 Q7RTX1 10/20 0.52
TAS1R2 Q8TE23 10/20 0.52
LMNA P02545 1/20 0.51
TAOK3 Q9H2K8 1/20 0.51
SPR P35270 1/20 0.51
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
CNR1 P21554 1/20 0.48
DHODH Q02127 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3423831 1.00 ALDH1A1 (0.55) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL2857566 0.94 CNR1 (0.54) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL2854682 0.86 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL2857660 0.84 LMNA (0.48) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL3423825 0.82 KDM4E (0.49) ALDH1A1LMNASPRKDM4ECNR1
SCHEMBL3390177 0.82 KDM4E (0.49) ALDH1A1LMNASPRKDM4ECNR1
SCHEMBL2851938 0.81 SPR (0.56) ALDH1A1LMNASPRKDM4EHTT
SCHEMBL10366974 0.81 HSD11B1 (0.56) ALDH1A1SPRKDM4ECNR1SMN1; SMN2
SCHEMBL2856213 0.79 CNR1 (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL3390170 0.78 SPR (0.68) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370530-B1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2010-12-29 EP disclosed
US-6949556-B2 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-27 US disclosed
EP-1370530-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-12-17 EP disclosed
US-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-30 US disclosed
WO-2002064565-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 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-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents VEGFA, EDNRA, NR1H2 ALDH1A1 509/4885TAS1R3 2306/4885TAS1R1 1843/4885

“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.