SCHEMBL16310100

SCHEMBL16310100

Cc1ccc(C(C)C(=O)NCC2CCCO2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
RAB9A P51151 4/20 0.60
ALDH1A1 P00352 4/20 0.60
NPC1 O15118 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP1A2 P05177 1/20 0.57
HPGD P15428 7/20 0.56
TSHR P16473 2/20 0.56
HTT P42858 1/20 0.56
GPR88 Q9GZN0 1/20 0.54
TP53 P04637 2/20 0.54
ATM Q13315 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL16308879 0.86 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AALDH1A1NPC1NPSR1
Hydrochloric Acid SCHEMBL16286916 0.85 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AALDH1A1NPC1NPSR1
SCHEMBL279957 0.79 KMT2A (0.86) SMN1; SMN2RAB9AALDH1A1NPC1NPSR1
SCHEMBL11918653 0.79 KMT2A (0.86) SMN1; SMN2RAB9AALDH1A1NPC1NPSR1
SCHEMBL8404634 0.77 MEN1 (0.59) SMN1; SMN2CYP1A2HPGDHTTTP53
SCHEMBL14368076 0.77 MEN1 (0.59) SMN1; SMN2CYP1A2HPGDHTTTP53
SCHEMBL12880452 0.77 MEN1 (0.59) SMN1; SMN2CYP1A2HPGDHTTTP53
SCHEMBL16286948 0.77 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AALDH1A1NPC1NPSR1
SCHEMBL14297340 0.76 KDM4E (0.76) SMN1; SMN2RAB9AALDH1A1NPC1NPSR1
SCHEMBL16286770 0.76 UBE2N (0.47) SMN1; SMN2RAB9AALDH1A1NPC1NPSR1

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-9409876-B2 Bradykinin receptor antagonists and pharmaceutical compositions containing them DOMPE' FARMACEUTICI S.P.A. (IT) 2016-08-09 US disclosed
US-20140371274-A1 BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' FARMACEUTICI S.P.A. (IT) 2014-12-18 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-20140371274-A1 BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BDKRB1, BDKRB2, EDNRB SMN1; SMN2 3999/4885RAB9A 2576/4885ALDH1A1 4192/4885

“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.