SCHEMBL30730439

SCHEMBL30730439

CCCCOC(=O)NC1(C(O)C#N)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
EPHX1 P07099 1/20 0.36
DPP4 P27487 1/20 0.35
ACHE P22303 9/20 0.35
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL29398957 0.75 CTSL (0.40) KMT2AEPHX1CTSLCTSBCTSS
SCHEMBL7963422 0.74 EPHX1 (0.43) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL1954999 0.73 EPHX1 (0.42) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL526390 0.72 KMT2A (0.41) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL3685791 0.72 EPHX1 (0.41) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL4053495 0.72 KMT2A (0.41) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL1739332 0.71 MAPT (0.46) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL29398236 0.71 CTSL (0.40) KMT2ACTSLCTSBCTSSMAPK1
SCHEMBL8303913 0.71 EPHX1 (0.40) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL8327512 0.71 EPHX1 (0.40) SMN1; SMN2NPC1RAB9ATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866422-B2 Carbocyclic prolinamide derivatives Orion Ophthalmology LLC (US) 2024-01-09 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-11866422-B2 Carbocyclic prolinamide derivatives HTRA1, ADCYAP1R1, HTRA2 SMN1; SMN2 1713/4885NPC1 1632/4885RAB9A 2790/4885

“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.