SCHEMBL5128047

SCHEMBL5128047

Cc1[nH]cnc1N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.50
LMNA P02545 2/20 0.50
ALOX15 P16050 1/20 0.50
AKT2 P31751 1/20 0.50
MAP3K5 Q99683 1/20 0.50
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
JAK3 P52333 2/20 0.41
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.39
NPC1 O15118 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
SCHEMBL14071956 0.71 NPY5R (0.46) HTTLMNAALOX15AKT2MAP3K5
SCHEMBL2229901 0.68 NPY5R (0.43) HTTLMNAALOX15AKT2MAP3K5
SCHEMBL8939237 0.68 HTT (0.58) HTTLMNAALOX15AKT2MAP3K5
SCHEMBL10617846 0.68 CD44 (0.56) ALOX15CYP1A2CYP2C19KDM4E
SCHEMBL29804847 0.68 HTT (0.58) HTTLMNAALOX15AKT2MAP3K5
SCHEMBL3287249 0.67 HTT (1.00) HTTLMNAALOX15AKT2MAP3K5
Modaline SCHEMBL2107814 0.67 SMN1; SMN2 (0.48) LMNASMN1; SMN2CYP1A2ALDH1A1CYP2C9
SCHEMBL9095851 0.65 HTT (0.57) HTTLMNAALOX15AKT2MAP3K5
SCHEMBL29804936 0.65 HTT (0.57) HTTLMNAALOX15AKT2MAP3K5
SCHEMBL9095854 0.64 HTT (1.00) HTTLMNAALOX15AKT2MAP3K5

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-7326705-B2 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
EP-1224183-B1 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP disclosed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US disclosed
US-6887870-B1 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 US disclosed
CN-1468232-A Heterocyclic sodium/proton exchange inhibitors and method ����˹�ж�-����˹˹������˾ 2004-01-14 CN disclosed
EP-1224183-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP disclosed
WO-2001027107-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 WO disclosed
WO-1999006377-A1 DERIVATIVES OF 1-((3,3-DIMETHYL-3-SILABUTOXY)METHYL)-2-(PHENYLSULFONYL)IMIDAZOLE GLIATECH, INC. (US) 1999-02-11 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 (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-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method NHERF1, SLC9A3, SLC9A1 HTT 875/4885LMNA 1977/4885ALOX15 1234/4885

“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.