SCHEMBL11888385

SCHEMBL11888385

C[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ FOLH1 Q04609 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL29599619 0.82 NPC1 (0.51) NPC1RAB9ALMNATAAR1FOLH1
SCHEMBL16228011 0.82 MMP1 (0.52) —
SCHEMBL16228013 0.82 MMP1 (0.52) —
SCHEMBL11888384 0.81 NPY1R (0.41) ALDH1A1POLBSMN1; SMN2
SCHEMBL4462033 0.79 NPC1 (0.67) NPC1RAB9ALMNATAAR1ALDH1A1
SCHEMBL8420771 0.79 NPC1 (0.67) NPC1RAB9ALMNATAAR1ALDH1A1
SCHEMBL6679690 0.79 NPC1 (0.67) NPC1RAB9ALMNATAAR1ALDH1A1
SCHEMBL14637585 0.78 CTSK (0.55) PTPN1
SCHEMBL10135741 0.78 CTSK (0.55) PTPN1
SCHEMBL16288647 0.78 NPY1R (0.49) EGFRSRC

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-20120190880-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF BLUE OWL CAPITAL CORPORATION, AS NEW AGENT 2012-07-26 — — US disclosed
WO-2010148305-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF CAMBREX CHARLES CITY, INC. (US) 2010-12-23 — — WO 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-20120190880-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF PNMT, COMT, DDT NPC1 3576/4885RAB9A 1955/4885PTPN2 2663/4885

“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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