SCHEMBL6087670

SCHEMBL6087670

Clc1cc(Nc2ccccc2N2CCOCC2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.53
USP2 O75604 1/20 0.51
P2RX7 Q99572 1/20 0.48
MAPT P10636 7/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MAPK1 P28482 3/20 0.47
LMNA P02545 3/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
EPHB4 P54760 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
NR4A1 P22736 1/20 0.46
UBE2I P63279 1/20 0.46

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
SCHEMBL6236440 0.88 SLC2A1 (0.54) NCF1USP2MAPTKDM4EALDH1A1
SCHEMBL6105362 0.86 NCF1 (0.56) NCF1USP2MAPTKDM4EALDH1A1
SCHEMBL6231576 0.85 NCF1 (0.46) NCF1USP2P2RX7MAPTKDM4E
SCHEMBL31620790 0.79 NPSR1 (0.61) NCF1USP2P2RX7MAPTKDM4E
SCHEMBL23925278 0.78 ALDH1A1 (0.51) USP2P2RX7MAPTKDM4EALDH1A1
SCHEMBL6100736 0.74 EPHB4 (0.57) P2RX7MAPTKDM4EALDH1A1HPGD
SCHEMBL4733419 0.72 NCF1 (0.74) NCF1MAPTKDM4EALDH1A1HPGD
SCHEMBL581984 0.72 HPGD (0.53) P2RX7MAPTKDM4EALDH1A1HPGD
SCHEMBL18433843 0.70 KDM1A (0.52) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL4733334 0.70 NCF1 (1.00) NCF1MAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153865-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2006-12-26 US disclosed
US-20050131020-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2005-06-16 US disclosed
EP-1430030-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
EP-1430030-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2004-06-23 EP disclosed
WO-2003018561-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2003-03-06 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-20050131020-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A NCF1 511/4885USP2 3952/4885P2RX7 198/4885

“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.