SCHEMBL24253461

SCHEMBL24253461

CCCCCCCC(CCCCCCC)n1ccc(C2CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 6/20 0.34
DRD1 P21728 6/20 0.34
DRD4 P21917 6/20 0.34
DRD5 P21918 6/20 0.34
DRD3 P35462 6/20 0.34
DRD2 P14416 5/20 0.34
SPHK1 Q9NYA1 3/20 0.33
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CYP3A4 P08684 1/20 0.30
G6PD P11413 1/20 0.30

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
SCHEMBL22255172 0.81 LMNA (0.34) NPC1RAB9ASMN1; SMN2HSP90AA1
SCHEMBL22681562 0.74 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL22927498 0.74 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL23195030 0.74 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL21323234 0.73 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL24253420 0.73 IDH1 (0.36) SMN1; SMN2KCNH2
SCHEMBL24253246 0.73 CYP19A1 (0.35) ALDH1A1L3MBTL1HPGDTSHRHSD17B10
SCHEMBL24804913 0.72 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL20898646 0.71 ADA (0.36) ALDH1A1CYP2C19HSP90AA1CYP3A4
SCHEMBL23183044 0.70 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-11613527-B2 Enzyme inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2023-03-28 US disclosed
US-20220048894-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-17 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 (3 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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 NPC1 1179/4885RAB9A 1638/4885SMN1; SMN2 3154/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 NPC1 1179/4885RAB9A 1638/4885SMN1; SMN2 3154/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 NPC1 1179/4885RAB9A 1638/4885SMN1; SMN2 3154/4885

“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.