SCHEMBL18085426

SCHEMBL18085426

C[C@H](CN)CCCNC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.60
▸ LMNA P02545 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ TGM2 P21980 1/20 0.54
▸ SLC1A3 P43003 1/20 0.54
▸ SLC1A1 P43005 1/20 0.54
▸ CPB1 P15086 1/20 0.53
▸ CPB2 Q96IY4 1/20 0.53
▸ KEAP1 Q14145 2/20 0.53
▸ NFE2L2 Q16236 2/20 0.53
▸ DPP8 Q6V1X1 1/20 0.53
▸ DPP7 Q9UHL4 1/20 0.53
▸ FOLH1 Q04609 3/20 0.52
▸ ANPEP P15144 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNB4 P30926 1/20 0.50
▸ CHRNA3 P32297 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50

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
SCHEMBL8060376 1.00 HTT (0.60) HTTLMNASMN1; SMN2TGM2SLC1A3
SCHEMBL19754817 0.92 SLC1A3 (0.60) HTTLMNASMN1; SMN2TGM2SLC1A3
SCHEMBL22043447 0.92 SLC1A3 (0.60) HTTLMNASMN1; SMN2TGM2SLC1A3
SCHEMBL18085394 0.92 SLC1A3 (0.60) HTTLMNASMN1; SMN2TGM2SLC1A3
SCHEMBL11993680 0.88 HTT (0.53) HTTLMNASMN1; SMN2TGM2SLC1A3
SCHEMBL24923326 0.88 HTT (0.62) HTTLMNASMN1; SMN2TGM2SLC1A3
SCHEMBL20382947 0.88 HTT (0.62) HTTLMNASMN1; SMN2TGM2SLC1A3
SCHEMBL15186352 0.87 HTT (0.64) HTTLMNASMN1; SMN2TGM2SLC1A3
SCHEMBL13480421 0.86 HTT (0.63) HTTLMNASMN1; SMN2TGM2SLC1A3
SCHEMBL10032568 0.86 HTT (0.67) HTTLMNASMN1; SMN2TGM2SLC1A3

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-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 — — US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 — — 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-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 HTT 4420/4885LMNA 3801/4885SMN1; SMN2 4878/4885

“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.

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