SCHEMBL5213743

SCHEMBL5213743

CN1CCC(CN2CCN(C(=O)CCc3oc(-c4ccc(Cl)c(Cl)c4)nc3-c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.49
POLB P06746 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
CCR2 P41597 3/20 0.39
KCNH2 Q12809 2/20 0.39
SLC2A1 P11166 2/20 0.38
MELK Q14680 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL5210242 0.90 TACR1 (0.47) TACR1POLBHRH3CACNA2D1CACNA1B
SCHEMBL5210084 0.89 TACR1 (0.46) TACR1POLBHRH3CACNA2D1CACNA1B
SCHEMBL5212688 0.85 TACR1 (0.50) TACR1POLBHRH3CACNA2D1CACNA1B
SCHEMBL5212616 0.85 TACR1 (0.45) TACR1POLBHRH3CACNA2D1CACNA1B
SCHEMBL5206601 0.84 POLB (0.39) TACR1POLBALDH1A1LMNATP53
Hydrochloric Acid SCHEMBL5209960 0.84 TACR1 (0.49) TACR1POLBHRH3CACNA2D1CACNA1B
SCHEMBL5212036 0.84 TACR1 (0.46) TACR1POLBHRH3CACNA2D1CACNA1B
SCHEMBL5207975 0.83 TACR1 (0.45) TACR1POLBHRH3CACNA2D1CACNA1B
SCHEMBL5214208 0.82 TACR1 (0.46) TACR1POLBHRH3CACNA2D1CACNA1B
SCHEMBL5207901 0.82 CACNA2D1 (0.46) TACR1POLBHRH3CACNA2D1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 TACR1 2372/4885POLB 3507/4885HRH3 52/4885

“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.