SCHEMBL6540636

SCHEMBL6540636

FC(F)Oc1ccccc1CN1C[C@@H]2CCCN2[C@H](C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 3/20 0.40
CYP2D6 P10635 1/20 0.40
TACR1 P25103 10/20 0.39
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7201086 1.00 MEN1 (0.43) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL7199745 1.00 MEN1 (0.43) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL6540050 0.87 KDM4E (0.48) MEN1KMT2ATACR1KDM4E
SCHEMBL7193869 0.87 KDM4E (0.48) MEN1KMT2ATACR1KDM4E
SCHEMBL7193865 0.87 KDM4E (0.48) MEN1KMT2ATACR1KDM4E
SCHEMBL7202934 0.87 FFAR1 (0.44) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL7202930 0.87 FFAR1 (0.44) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL6541878 0.87 FFAR1 (0.44) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL6541618 0.84 MAPT (0.48) MEN1KMT2ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6540861 0.81 TACR1 (0.39) MEN1KMT2ACYP2D6TACR1KDM4E

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 MEN1 629/4885KMT2A 2124/4885SLC6A2 1000/4885

“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.