SCHEMBL6410331

SCHEMBL6410331

O=C1CCN(Cc2ccccn2)CC1C(c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.68
LMNA P02545 1/20 0.64
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL6411370 0.81 TACR1 (1.00) TACR1
SCHEMBL6405469 0.81 TACR1 (0.62) TACR1
SCHEMBL6405882 0.78 TACR1 (0.77) TACR1
SCHEMBL6412492 0.77 TACR1 (0.72) TACR1
SCHEMBL6410277 0.77 TACR1 (0.85) TACR1
SCHEMBL8099492 0.76 KMT2A (0.64) LMNAKDM4EALDH1A1
SCHEMBL3221427 0.76 KMT2A (0.64) LMNAKDM4EALDH1A1
SCHEMBL6413697 0.76 TACR1 (0.97) TACR1
SCHEMBL6405717 0.76 TACR1 (0.82) TACR1
SCHEMBL6409780 0.76 TACR1 (0.82) 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-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-02-17 US disclosed
EP-1460062-A1 NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use BDKRB1, BDKRB2, TACR1 TACR1 3/4885LMNA 4687/4885KDM4E 2064/4885

“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.