SCHEMBL13905552

SCHEMBL13905552

CNC(=O)c1cccc(-c2ccc(OC(F)(F)F)c(C(=O)NC(CC#N)Cc3c[nH]c4ccccc34)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.46
GPR84 Q9NQS5 4/20 0.44
TACR1 P25103 4/20 0.42
HPGDS O60760 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL13905564 0.93 CTSL (0.46) CTSLTACR1HPGDSCTSSCTSK
SCHEMBL13905530 0.93 ITGB2 (0.46) CTSLGPR84HPGDSCTSSCTSK
SCHEMBL13905468 0.93 CTSL (0.46) CTSLTACR1HPGDSCTSSCTSK
SCHEMBL3941673 0.92 CTSL (0.47) CTSLTACR1HPGDSCTSSCTSK
SCHEMBL13905538 0.92 HPGDS (0.46) CTSLTACR1HPGDSCTSSCTSK
SCHEMBL13905561 0.91 ITGB2 (0.45) CTSLTACR1HPGDSCTSSCTSK
SCHEMBL13905470 0.91 CTSL (0.45) CTSLTACR1HPGDSCTSSCTSK
SCHEMBL13943638 0.90 HPGDS (0.45) GPR84TACR1HPGDSMRGPRX4ITGB2
SCHEMBL13905562 0.90 ITGB2 (0.47) CTSLTACR1HPGDSCTSSCTSK
SCHEMBL13905559 0.90 HPGDS (0.51) CTSLTACR1HPGDSCTSSCTSK

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 2 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 disclosed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (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-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES FSHR, GNRHR, HNMT CTSL 384/4885GPR84 258/4885TACR1 224/4885

“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.