SCHEMBL6540443

SCHEMBL6540443

CSc1ccccc1CN1C[C@@H]2CCCN2[C@H](C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
CHRNA7 P36544 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL6540050 0.83 KDM4E (0.48) KMT2AMEN1
SCHEMBL7193865 0.83 KDM4E (0.48) KMT2AMEN1
SCHEMBL7193869 0.83 KDM4E (0.48) KMT2AMEN1
Hydrochloric Acid SCHEMBL6540861 0.82 TACR1 (0.39) KMT2AMEN1ALDH1A1LMNA
SCHEMBL6541358 0.81 PLA2G1B (0.36) KMT2AMEN1POLBMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL6541618 0.80 MAPT (0.48) KMT2AMEN1POLBL3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL6541378 0.80 TACR1 (0.47) ALDH1A1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6541085 0.80 KDM4E (0.51) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL6540636 0.79 MEN1 (0.43) KMT2AMEN1SLC6A2SLC6A4
SCHEMBL7199745 0.79 MEN1 (0.43) KMT2AMEN1SLC6A2SLC6A4

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 KMT2A 2124/4885MEN1 629/4885POLB 4781/4885

“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.