SCHEMBL17840233

SCHEMBL17840233

CCN1CCC[C@H]1c1ccccc1-c1ccccc1N(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM3 P20309 1/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 2/20 0.38
ALDH1A1 P00352 1/20 0.38
OPRK1 P41145 1/20 0.37
RIPK1 Q13546 1/20 0.37
BCHE P06276 2/20 0.36
LMNA P02545 1/20 0.36
OPRD1 P41143 2/20 0.36
KDM2B Q8NHM5 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
SCHEMBL17840227 0.79 CHRM3 (0.40) CHRM3
SCHEMBL17840333 0.79 CHRM3 (0.40) CHRM3
SCHEMBL23423397 0.68 CHRNB2 (0.59) RIPK1
SCHEMBL13407277 0.68 CHRNB2 (0.59) RIPK1
SCHEMBL23032150 0.68 CHRNB2 (0.59) RIPK1
SCHEMBL17796992 0.68 CHRM3 (0.53) RAB9ASMN1; SMN2CHRM3KMT2AOPRD1
SCHEMBL16964986 0.68 RIPK1 (0.48) RAB9ASMN1; SMN2POLBHSD11B1ALDH1A1
SCHEMBL28317516 0.68 GAA (0.44) SMN1; SMN2KMT2AHSD11B1ALDH1A1RIPK1
SCHEMBL11510751 0.68 PTGDR2 (0.44) RAB9AKMT2AALDH1A1LMNA
SCHEMBL24854063 0.67 CHRNA7 (0.38) HSD11B1RIPK1

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-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 US disclosed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 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-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME CHRM2, CHRM3, CHRM5 RAB9A 814/4885SMN1; SMN2 1664/4885CHRM3 2/4885

“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.