SCHEMBL5437700

SCHEMBL5437700

CC(C)C[C@H](NC(=O)CC1C[C@@H]2CC[C@H]1C2)C(=O)NCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CAPN1 P07384 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR1A P08908 1/20 0.43
BMP1 P13497 1/20 0.41
CTSL P07711 1/20 0.39
CCR1 P32246 1/20 0.38
ADAM17 P78536 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.35
CACNA1B Q00975 2/20 0.35
P2RX7 Q99572 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
SCHEMBL5429199 0.86 CAPN1 (0.47) CAPN1BMP1CTSLCCR1ADAM17
SCHEMBL4141710 0.84 CAPN1 (0.49) CAPN1BMP1CTSLCCR1ADAM17
SCHEMBL4142973 0.83 CAPN1 (0.48) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5439623 0.82 CAPN1 (0.47) CAPN1BMP1CTSLCCR1ADAM17
SCHEMBL4131122 0.82 CAPN1 (0.47) CAPN1BMP1CTSLCCR1ADAM17
SCHEMBL5434636 0.81 CAPN1 (0.51) MEN1KMT2ACAPN1CHRNB2CHRNB4
SCHEMBL4128798 0.80 CAPN1 (0.47) CAPN1BMP1CTSLCCR1ADAM17
SCHEMBL4136304 0.80 CAPN1 (0.53) MEN1KMT2ACAPN1CHRNB2CHRNB4
SCHEMBL5434781 0.80 CAPN1 (0.44) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4130820 0.79 CAPN1 (0.47) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US claimed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 MEN1 1683/4885KMT2A 3582/4885CAPN1 2884/4885

“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.