SCHEMBL6540684

SCHEMBL6540684

COc1cccc(OC(C)C)c1CN1C[C@@H]2CCCN2[C@H](C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL7204308 1.00 TACR1 (0.42) TACR1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL7204313 1.00 TACR1 (0.42) TACR1MEN1KMT2AL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL6541297 0.99 TACR1 (0.43) TACR1MEN1KMT2AL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL6540431 0.94 TACR1 (0.46) TACR1MEN1KMT2AL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL7200288 0.94 TACR1 (0.46) TACR1MEN1KMT2AL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL7200284 0.94 TACR1 (0.46) TACR1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL7200487 0.90 TACR1 (0.37) TACR1MEN1KMT2ATP53
SCHEMBL7200483 0.90 TACR1 (0.37) TACR1MEN1KMT2ATP53
SCHEMBL6541357 0.89 TACR1 (0.41) TACR1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL6540752 0.89 TACR1 (0.45) TACR1MEN1KMT2AL3MBTL1

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 TACR1 3/4885MEN1 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.