SCHEMBL6335458

SCHEMBL6335458

c1ccc(CN2CCNC(C(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.55
SIGMAR1 Q99720 2/20 0.50
LTA4H P09960 1/20 0.48
BACE1 P56817 3/20 0.46
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
AGTR2 P50052 1/20 0.43
TSHR P16473 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL6335455 1.00 TACR1 (0.55) TACR1SIGMAR1LTA4HBACE1ALDH1A1
Hydrochloric Acid SCHEMBL6541504 0.99 TACR1 (0.56) TACR1SIGMAR1LTA4HBACE1ALDH1A1
SCHEMBL310284 0.87 SIGMAR1 (0.51) TACR1SIGMAR1LTA4HBACE1ALDH1A1
SCHEMBL14085915 0.87 SIGMAR1 (0.51) TACR1SIGMAR1LTA4HBACE1ALDH1A1
SCHEMBL1189622 0.87 SIGMAR1 (0.51) TACR1SIGMAR1LTA4HBACE1ALDH1A1
Hydrochloric Acid SCHEMBL11446780 0.84 SIGMAR1 (0.49) TACR1SIGMAR1LTA4HBACE1ALDH1A1
SCHEMBL29289212 0.84 SIGMAR1 (0.49) TACR1SIGMAR1LTA4HBACE1ALDH1A1
SCHEMBL10675682 0.84 SIGMAR1 (0.49) TACR1SIGMAR1LTA4HBACE1ALDH1A1
SCHEMBL24803412 0.84 SIGMAR1 (0.51) TACR1SIGMAR1LTA4HBACE1ALDH1A1
SCHEMBL5201106 0.83 SIGMAR1 (0.47) TACR1SIGMAR1LTA4HBACE1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171350-A1 Benzhydryl derivatives FUJISAWA PHARAMACEUTICAL CO., LTD. (JP) 2005-08-04 US disclosed
US-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-04 US disclosed
EP-1456201-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP disclosed
EP-1368343-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-10 EP disclosed
WO-2003053957-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (US) 2003-07-03 WO disclosed
WO-2002055518-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-18 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 (2 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-20050171350-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 TACR1 3/4885SIGMAR1 863/4885LTA4H 639/4885
US-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists BDKRB1, BDKRB2, TACR1 TACR1 3/4885SIGMAR1 458/4885LTA4H 672/4885

“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.