SCHEMBL4255144

SCHEMBL4255144

CC(=O)c1cc(Br)c2c(c1)CCC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CA5A P35218 1/20 0.36
NLRP3 Q96P20 3/20 0.36
HPGD P15428 2/20 0.35
GNG2 P59768 1/20 0.35
GNB1 P62873 1/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B1 P14061 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 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
SCHEMBL3000584 0.96 NPC1 (0.39) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL21584054 0.89 NPC1 (0.40) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4258102 0.84 ALDH1A1 (0.52) NPC1RAB9AMAPTALDH1A1NLRP3
SCHEMBL20906141 0.82 ALDH1A1 (0.38) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4266384 0.82 TSHR (0.40) MAPTALDH1A1SMN1; SMN2TSHRCYP3A4
SCHEMBL11809862 0.81 GNG2 (0.36) MAPTALDH1A1HPGDGNG2GNB1
SCHEMBL13790035 0.81 NPC1 (0.40) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL27629627 0.81 GNG2 (0.41) NPC1RAB9AMAPTALDH1A1NLRP3
SCHEMBL25819914 0.81 KDM4E (0.42) MAPTALDH1A1SMN1; SMN2NLRP3TSHR
SCHEMBL31359546 0.78 CA12 (0.46) NPC1RAB9AMAPTALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344604-B1 CARBOXY SUBSTITUTED (HETERO) AROMATIC RING DERIVATIVES AND PREPARATION METHOD AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-11-04 EP disclosed
US-10266496-B2 Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-04-23 US disclosed
EP-1636221-B1 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists ALBIREO AB (SE) 2009-08-12 EP disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 US disclosed
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 WO 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-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 NPC1 457/4885RAB9A 306/4885MAPT 4825/4885
US-10266496-B2 Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof XDH, ABCG2, SLC7A1 NPC1 333/4885RAB9A 3071/4885MAPT 3465/4885

“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.