SCHEMBL6541486

SCHEMBL6541486

COc1ccc(OC)c(CN2C[C@@H]3CCCN3[C@H](C(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
KDM4E B2RXH2 3/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
TACR1 P25103 8/20 0.49
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
Hydrochloric Acid SCHEMBL7194013 0.99 MAPT (0.50) MAPTKDM4ETSHRALDH1A1MEN1
Hydrochloric Acid SCHEMBL6540428 0.99 MAPT (0.50) MAPTKDM4ETSHRALDH1A1MEN1
Hydrochloric Acid SCHEMBL7194019 0.99 MAPT (0.50) MAPTKDM4ETSHRALDH1A1MEN1
Hydrochloric Acid SCHEMBL6541816 0.91 TACR1 (0.50) MAPTKDM4ETSHRALDH1A1MEN1
Hydrochloric Acid SCHEMBL6541421 0.90 TACR1 (0.62) MAPTKDM4ETSHRALDH1A1MEN1
SCHEMBL7204057 0.89 KDM4E (0.50) KDM4ETSHRALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6541012 0.89 TACR1 (0.59) MAPTTACR1
SCHEMBL7193865 0.89 KDM4E (0.48) KDM4EMEN1KMT2ATACR1
SCHEMBL6540050 0.89 KDM4E (0.48) KDM4EMEN1KMT2ATACR1
SCHEMBL7193869 0.89 KDM4E (0.48) KDM4EMEN1KMT2ATACR1

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-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 MAPT 2978/4885KDM4E 3697/4885TSHR 338/4885

“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.