Tryptophanol

Tryptophanol

SCHEMBL5155681

COc1cc(OC)cc(-c2cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c3ccccc3n2)c1.COc1cc(OC)cc(-c2cc(C(=O)O)c3ccccc3n2)c1.N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
CYP3A4 P08684 1/20 0.43

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
Tryptophanol SCHEMBL5155750 0.95 MEN1 (0.48) TACR3MEN1KMT2AKDM4ENPC1
SCHEMBL4601942 0.93 ITGB2 (0.50) TACR3MEN1KMT2AKDM4EALDH1A1
SCHEMBL5154442 0.88 TACR3 (0.57) TACR3MEN1KMT2AKDM4ENPC1
SCHEMBL5151537 0.88 MEN1 (0.54) TACR3MEN1KMT2AKDM4EALDH1A1
Tryptophanol SCHEMBL5154588 0.86 CDK2 (0.44) TACR3KDM4ENPC1ALDH1A1LMNA
SCHEMBL14557563 0.85 KDM4E (0.56) TACR3MEN1KMT2AKDM4ENPC1
SCHEMBL4601818 0.84 MAPT (0.54) TACR3MEN1KMT2AKDM4EALDH1A1
SCHEMBL4601464 0.84 MAPT (0.54) TACR3MEN1KMT2AKDM4EALDH1A1
SCHEMBL4602563 0.84 KDM4E (0.57) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL4601467 0.84 KDM4E (0.57) MEN1KMT2AKDM4EALDH1A1LMNA

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-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R TACR3 185/4885MEN1 410/4885KMT2A 916/4885

“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.