SCHEMBL6541547

SCHEMBL6541547

COc1ccc2ccccc2c1CN1CCN(C)C(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HTT P42858 1/20 0.54
MC4R P32245 6/20 0.42
TACR1 P25103 6/20 0.42
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL7187047 0.91 KMT2A (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6540815 0.87 TACR1 (0.55) MEN1KMT2ATACR1
SCHEMBL6541677 0.81 TACR1 (0.44) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL7205922 0.81 HTT (0.55) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7205927 0.81 HTT (0.55) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6541329 0.81 HTT (0.55) MEN1KMT2AALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL6541598 0.81 TACR1 (0.51) MEN1KMT2ATACR1
Hydrochloric Acid SCHEMBL6540480 0.80 TACR1 (0.50) MEN1KMT2AALDH1A1TSHRTACR1
SCHEMBL6540941 0.80 TACR1 (0.56) MEN1KMT2ATACR1
Hydrochloric Acid SCHEMBL6541642 0.79 TACR1 (0.57) TACR1

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 2124/4885ALDH1A1 2029/4885

“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.