SCHEMBL14947775

SCHEMBL14947775

CN[C@H](C(C)=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 1/20 0.46
EPHX2 P34913 6/20 0.42
EPHX1 P07099 2/20 0.42
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39

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
SCHEMBL18757254 0.89 ALDH1A1 (0.38) ALDH1A1NPC1EPHX2EPHX1KMT2A
SCHEMBL19220442 0.88 ALDH1A1 (0.40) ALDH1A1NPC1EPHX2EPHX1KMT2A
SCHEMBL4369572 0.84 ALDH1A1 (0.46) ALDH1A1NPC1EPHX2EPHX1KMT2A
SCHEMBL16174215 0.83 DPP4 (0.48) ALDH1A1
SCHEMBL25075856 0.75 ALDH1A1 (0.36) ALDH1A1NPC1EPHX2EPHX1KMT2A
SCHEMBL8073575 0.72 ALDH1A1 (0.50) ALDH1A1NPC1EPHX2EPHX1KMT2A
SCHEMBL22192951 0.71 CPB2 (0.34) ALDH1A1NPC1EPHX2EPHX1KMT2A
SCHEMBL10069253 0.71 DPP4 (0.54) ALDH1A1NPC1EPHX2EPHX1SLC22A2
SCHEMBL24025193 0.70 DPP4 (0.36) ALDH1A1NPC1EPHX2EPHX1KMT2A
SCHEMBL22133088 0.68 ALDH1A1 (0.49) ALDH1A1EPHX2KMT2ASMN1; SMN2MEN1

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2023-11-23 US disclosed
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2023-11-23 US disclosed
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-07-27 US disclosed
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-07-27 US disclosed
US-11638715-B2 Orally-bioavailable nucleoside analogs VenatoRx Pharmaceuticals, Inc. (US) 2023-05-02 US disclosed
US-11638715-B2 Orally-bioavailable nucleoside analogs VenatoRx Pharmaceuticals, Inc. (US) 2023-05-02 US disclosed
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
US-20230119612-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-04-20 US disclosed
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-02-02 US disclosed
US-8859723-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2014-10-14 US disclosed
US-8859723-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2014-10-14 US disclosed
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-10-17 US disclosed
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-10-17 US disclosed
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20130210743-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-08-15 US disclosed
US-20130210743-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-08-15 US disclosed
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-05-16 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 (10 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-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 ALDH1A1 4716/4885NPC1 2639/4885EPHX2 3983/4885
US-20130210743-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP ALDH1A1 4756/4885NPC1 292/4885EPHX2 3191/4885
US-20230119612-A1 PEPTIDOMIMETIC MACROCYCLES TP53, MDM2, MDM4 ALDH1A1 4570/4885NPC1 4459/4885EPHX2 2876/4885
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF ILK, EPCAM, MMP8 ALDH1A1 1432/4885NPC1 3892/4885EPHX2 1092/4885
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR ALDH1A1 4722/4885NPC1 1454/4885EPHX2 3064/4885
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM ALDH1A1 4843/4885NPC1 1622/4885EPHX2 4337/4885
US-11638715-B2 Orally-bioavailable nucleoside analogs SLC29A2, SLC29A1, PNP ALDH1A1 2219/4885NPC1 67/4885EPHX2 1109/4885
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES IL33, TPR, CDC37 ALDH1A1 4459/4885NPC1 3848/4885EPHX2 2067/4885
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES PROKR1, GLP1R, PROKR2 ALDH1A1 4764/4885NPC1 426/4885EPHX2 3704/4885
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP ALDH1A1 2219/4885NPC1 67/4885EPHX2 1109/4885

“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.