SCHEMBL6540248

SCHEMBL6540248

O=C1CNCC(C(c2ccccc2)c2ccccc2)N1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CREBBP Q92793 1/20 0.33
ALOX5 P09917 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
GBA1 P04062 1/20 0.32

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
SCHEMBL4387029 0.74 ALOX5 (0.31) ALOX5
SCHEMBL7007764 0.69 SLC6A2 (0.37) SLC6A4SLC6A3KMT2A
SCHEMBL11516122 0.69 KMT2A (0.41) ALDH1A1HPGDCYP2D6KMT2A
Hydrochloric Acid SCHEMBL6541853 0.69 DAO (0.36) DAOALDH1A1HPGDCREBBPALOX5
SCHEMBL6541207 0.69 DAO (0.36) DAOALDH1A1HPGDCREBBPALOX5
Hydrochloric Acid SCHEMBL6336901 0.68 SLC6A2 (0.36) ALDH1A1SLC6A4SLC6A3
SCHEMBL12296177 0.68 PNMT (0.37) DAOALDH1A1ALOX5SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6541046 0.68 SLC6A2 (0.36) ALDH1A1SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6540298 0.68 SLC6A2 (0.36) ALDH1A1SLC6A4SLC6A3
SCHEMBL4443246 0.67 CYP2D6 (0.37) SLC6A4SLC6A3CYP2D6GBA1

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 DAO 1046/4885ALDH1A1 2029/4885HPGD 1083/4885

“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.