SCHEMBL5044706

SCHEMBL5044706

O=C(c1ccccc1)C1[CH]CCNC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
HBB P68871 1/20 0.38
MCL1 Q07820 1/20 0.38
EPHX1 P07099 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL23166480 0.77
SCHEMBL407286 0.73 KMT2A (0.53) KMT2AMCL1TSHR
Hydrochloric Acid SCHEMBL440964 0.71 KMT2A (0.56) KMT2AMCL1
SCHEMBL27973372 0.71 CNR2 (0.41) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2536727 0.71
SCHEMBL27363208 0.71
SCHEMBL24111518 0.71 CHRNB2 (0.50) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL638646 0.70 SLC6A1 (0.56) KMT2AMAPTMCL1TSHR
Hydrochloric Acid SCHEMBL25370921 0.69 CHRNB2 (0.49) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8292968 0.69 SSTR4 (0.45) KMT2ASLC6A4

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-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
US-20050176769-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 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-20050176769-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 KMT2A 4119/4885CHRNB2 3577/4885CHRNB4 3847/4885

“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.