SCHEMBL6540033

SCHEMBL6540033

C=CCOc1ccccc1CN1CCN(C)C(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TACR1 P25103 5/20 0.41
TSHR P16473 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL6541694 0.87 MAPT (0.51) KDM4EKMT2ATACR1
SCHEMBL6541542 0.85 TACR1 (0.43) ALDH1A1KDM4ETACR1
SCHEMBL6540941 0.84 TACR1 (0.56) KDM4EMEN1KMT2ATACR1
Hydrochloric Acid SCHEMBL6541654 0.83 TACR1 (0.57) KDM4ETACR1
Hydrochloric Acid SCHEMBL6541642 0.83 TACR1 (0.57) KDM4ETACR1
SCHEMBL6541273 0.81 TACR1 (0.48) MEN1KMT2ATACR1
SCHEMBL6541538 0.81 TACR1 (0.48) TACR1
SCHEMBL6540436 0.77 TACR1 (0.40) TACR1TSHR
SCHEMBL6541081 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ATACR1
SCHEMBL6541053 0.76 TACR1 (0.53) ALDH1A1KDM4EMEN1KMT2ATACR1

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 4 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
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO 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 ALDH1A1 2029/4885KDM4E 3697/4885MEN1 629/4885

“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.