SCHEMBL16449768

SCHEMBL16449768

CC(C)C1CC(=O)N(CCN2CCN(C)CC2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM1A O60341 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL16449769 0.89 SIGMAR1 (0.38) LMNATSHRSMN1; SMN2POLBALDH1A1
SCHEMBL19601273 0.88 POLB (0.39) LMNATSHRSMN1; SMN2POLBALDH1A1
SCHEMBL16449765 0.87 SIGMAR1 (0.40) LMNATSHRSMN1; SMN2POLBALDH1A1
SCHEMBL25963873 0.84 KDM1A (0.44) LMNAKDM1ASMN1; SMN2POLBALDH1A1
SCHEMBL25963041 0.83 POLB (0.50) LMNATSHRSMN1; SMN2POLBALDH1A1
SCHEMBL835434 0.81 CYP19A1 (0.39) LMNATSHRSMN1; SMN2POLBALDH1A1
SCHEMBL16450881 0.80 ACHE (0.38) LMNAKDM1ASMN1; SMN2ADRA1DADRA1A
SCHEMBL13318048 0.80 CYP19A1 (0.46) TSHRSMN1; SMN2POLBALDH1A1PKM
SCHEMBL16675656 0.79 MGLL (0.39) LMNASMN1; SMN2POLBALDH1A1PKM
SCHEMBL17190592 0.79 ALDH1A1 (0.39) SMN1; SMN2POLBALDH1A1PKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745335-B2 N-substituted second generation derivatives of antifungal antibiotic amphotericin B and methods of their preparation and application BLIRT S.A. (PL) 2017-08-29 US disclosed
US-9745335-B2 N-substituted second generation derivatives of antifungal antibiotic amphotericin B and methods of their preparation and application BLIRT S.A. (PL) 2017-08-29 US disclosed
US-9447136-B2 Semisynthetic derivatives of Nystatin A1 BLIRT S.A. (PL) 2016-09-20 US disclosed
US-20150291648-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION BLIRT S.A. (PL) 2015-10-15 US disclosed
US-20150045316-A1 SEMISYNTHETIC DERIVATIVES OF NYSTATIN A1 BLIRT S.A. (PL) 2015-02-12 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 (2 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-20150045316-A1 SEMISYNTHETIC DERIVATIVES OF NYSTATIN A1 NPC1, NPC1L1, LSS LMNA 1805/4885TSHR 3798/4885HSD17B10 3874/4885
US-20150291648-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION ERG28, LSS, NPC1 LMNA 741/4885TSHR 4423/4885HSD17B10 2503/4885

“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.