SCHEMBL3943403

SCHEMBL3943403

N#CCC(Cc1c[nH]c2ccccc12)NC(=O)c1cc(-c2ccc3ccccc3c2)ccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
PTBP1 P26599 1/20 0.41
HTT P42858 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CTSL P07711 2/20 0.40
CDK2 P24941 2/20 0.40
AKT1 P31749 2/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
LCK P06239 1/20 0.40
CDK1 P06493 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AKT2 P31751 1/20 0.40
FLT4 P35916 1/20 0.40

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
SCHEMBL13905561 0.91 ITGB2 (0.45) MAPTSMN1; SMN2CTSLCTSSCTSK
SCHEMBL13905574 0.91 HPGDS (0.44) MAPTSMN1; SMN2LMNAPTBP1HTT
SCHEMBL13905591 0.91 ITGB2 (0.47) MAPTSMN1; SMN2LMNAPTBP1HTT
SCHEMBL3940670 0.91 ITGB2 (0.39) MAPTSMN1; SMN2LMNAPTBP1HTT
SCHEMBL13905558 0.90 TACR1 (0.46) MAPTSMN1; SMN2LMNAPTBP1HTT
SCHEMBL13905578 0.90 P2RY14 (0.43) MAPTSMN1; SMN2LMNAPTBP1HTT
SCHEMBL13905545 0.90 ITGB2 (0.45) MAPTSMN1; SMN2LMNACTSLITGB2
SCHEMBL3937909 0.90 CCKBR (0.42) CDK2AKT1DYRK3ROCK2PRKD3
SCHEMBL3941199 0.90 AKT1 (0.45) CTSLCDK2AKT1DYRK3ROCK2
SCHEMBL3948668 0.90 CTSL (0.43) MAPTSMN1; SMN2TRPV1CTSLCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US claimed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO claimed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP claimed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 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-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES FSHR, GNRHR, HNMT MAPT 4109/4885SMN1; SMN2 2957/4885LMNA 582/4885

“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.