SCHEMBL6540050

SCHEMBL6540050

COc1ccccc1CN1C[C@@H]2CCCN2[C@H](C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TACR1 P25103 14/20 0.48
CACNA1F O60840 1/20 0.45
CHRM5 P08912 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
GPR65 Q8IYL9 1/20 0.45
GNAI3 P08754 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
SCHEMBL7193865 1.00 KDM4E (0.48) KDM4EMEN1KMT2ATACR1CACNA1F
SCHEMBL7193869 1.00 KDM4E (0.48) KDM4EMEN1KMT2ATACR1CACNA1F
SCHEMBL6541486 0.89 MAPT (0.51) KDM4EMEN1KMT2ATACR1
Hydrochloric Acid SCHEMBL6541618 0.89 MAPT (0.48) KDM4EMEN1KMT2ATACR1CACNA1F
Hydrochloric Acid SCHEMBL6541410 0.89 TACR1 (0.45) KDM4EMEN1KMT2ATACR1
Hydrochloric Acid SCHEMBL6540431 0.88 TACR1 (0.46) KDM4EMEN1KMT2ATACR1
Hydrochloric Acid SCHEMBL7200288 0.88 TACR1 (0.46) KDM4EMEN1KMT2ATACR1
Hydrochloric Acid SCHEMBL7200284 0.88 TACR1 (0.46) KDM4EMEN1KMT2ATACR1
Hydrochloric Acid SCHEMBL6541816 0.88 TACR1 (0.50) KDM4EMEN1KMT2ATACR1
SCHEMBL7204057 0.88 KDM4E (0.50) 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 KDM4E 3697/4885MEN1 629/4885KMT2A 2124/4885

“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.