SCHEMBL25093232

SCHEMBL25093232

CCC(=O)c1ccc(C(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P4HTM Q9NXG6 1/20 0.39
USP5 P45974 1/20 0.39
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
BCHE P06276 4/20 0.36
ACHE P22303 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL28069735 0.86 TDP1 (0.37) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL30212461 0.83 ACACB (0.42) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL22296718 0.81 P4HTM (0.34) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL14553126 0.80 MAPT (0.40) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL6920475 0.79 P4HTM (0.53) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL8150961 0.79 NPC1 (0.44) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL30181544 0.79 P4HTM (0.53) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL2411829 0.78 GABRA1 (0.49) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL16472371 0.78 SMN1; SMN2 (0.48) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL10258367 0.78 HSP90AA1 (0.51) NPC1RAB9ALMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11802128-B2 Azetidine and pyrrolidine PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2023-10-31 US disclosed
US-20230203033-A1 AZETIDINE AND PYRROLIDINE PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-06-29 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 US disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 US disclosed
US-11591331-B2 PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2023-02-28 US disclosed
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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 (7 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A NPC1 1428/4885RAB9A 604/4885LMNA 4118/4885
US-11802128-B2 Azetidine and pyrrolidine PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 NPC1 2929/4885RAB9A 1110/4885LMNA 790/4885
US-20130165472-A1 HETEROARYLS AND USES THEREOF PIK3R4, VPS4B, PIK3C2A NPC1 330/4885RAB9A 109/4885LMNA 3840/4885
US-20230203033-A1 AZETIDINE AND PYRROLIDINE PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 NPC1 3172/4885RAB9A 1205/4885LMNA 1210/4885
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 NPC1 2940/4885RAB9A 3330/4885LMNA 316/4885
US-11591331-B2 PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 NPC1 2940/4885RAB9A 3330/4885LMNA 316/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 NPC1 3595/4885RAB9A 4305/4885LMNA 3053/4885

“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.