SCHEMBL2845899

SCHEMBL2845899

NCCCCc1nc2c(Cl)cccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PSMB8 P28062 1/20 0.45
CACNA1H O95180 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
NUDT1 P36639 1/20 0.39
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38

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
SCHEMBL7614958 0.84 POLB (0.45) POLBPSMB8KDM4ELMNA
SCHEMBL5738314 0.82 PSMB8 (0.51) PSMB8LMNANUDT1ADORA1ADORA3
SCHEMBL6373064 0.81 NPC1 (0.49) POLBPSMB8ADORA1ADORA3MAOB
SCHEMBL10765842 0.81 POLB (0.45) POLBTDP1
SCHEMBL1917492 0.80 PSMB8 (0.49) POLBPSMB8KDM4ENUDT1ADORA1
SCHEMBL2842462 0.79 PSMB8 (0.43) POLBPSMB8KDM4ELMNAADORA1
SCHEMBL2840944 0.78 SMN1; SMN2 (0.45) POLBCACNA1HMAOBADORA2ASLC40A1
SCHEMBL722371 0.77 HDAC1 (0.55) KDM4ELMNAADORA1MAOBADORA2A
SCHEMBL2307747 0.77 PSMB8 (0.53) PSMB8LMNANUDT1ADORA1ADORA3
SCHEMBL7608595 0.76 PSMB8 (0.45) POLBPSMB8KDM4ENUDT1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 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 (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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A POLB 2616/4885PSMB8 2380/4885CACNA1H 22/4885

“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.