SCHEMBL4158722

SCHEMBL4158722

Cc1cc(F)ccc1C1CN(C(=O)O)CCC1NC(=O)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 6/20 0.40
TACR1 P25103 6/20 0.40
MEN1 O00255 3/20 0.39
HSD11B1 P28845 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
OPRL1 P41146 1/20 0.38
CCR3 P51677 1/20 0.37

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
SCHEMBL4158725 1.00 USP2 (0.40) USP2TSHRPOLBKMT2ATACR1
SCHEMBL4149855 0.90 TSHR (0.44) USP2TSHRPOLBKMT2ATACR1
SCHEMBL4149852 0.90 TSHR (0.44) USP2TSHRPOLBKMT2ATACR1
SCHEMBL13801267 0.87 USP30 (0.47) KMT2ATACR1LMNA
SCHEMBL13814587 0.87 USP30 (0.47) KMT2ATACR1LMNA
SCHEMBL4149394 0.85 TACR1 (0.51) TACR1
SCHEMBL4149395 0.85 TACR1 (0.51) TACR1
SCHEMBL1969992 0.79 TACR1 (0.44) TACR1OPRL1
SCHEMBL13814645 0.78 USP30 (0.44) TSHRKMT2AMEN1HTT
SCHEMBL13801615 0.78 USP30 (0.44) TSHRKMT2AMEN1HTT

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-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT USP2 4041/4885TSHR 396/4885POLB 4720/4885

“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.