SCHEMBL15064997

SCHEMBL15064997

C[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.62
HRH4 Q9H3N8 5/20 0.57
HRH3 Q9Y5N1 3/20 0.54
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL13753537 1.00 AKR1C3 (0.62) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL15533406 0.84 AKR1C3 (0.62) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL24235367 0.83 AKR1C3 (0.61) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL30310614 0.82 AKR1C3 (0.60) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL13201971 0.82 AKR1C3 (0.63) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL22615151 0.82 HRH4 (0.58) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL22615187 0.82 HRH4 (0.58) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL22615152 0.82 HRH4 (0.58) AKR1C3HRH4HRH3POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL6823552 0.80 AKR1C3 (0.57) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL19360634 0.80 HRH4 (0.58) AKR1C3HRH4HRH3POLB

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-9815863-B2 Hydrogen bond forming fluoro ketolides for treating diseases CEMPRA PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2013-07-04 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-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Q6ZSR9, LSS, LCT AKR1C3 104/4885HRH4 3514/4885HRH3 4079/4885

“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.