SCHEMBL4779101

SCHEMBL4779101

Nc1c(Cl)ccc2nc(N3CCOCC3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CYP1A2 P05177 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 5/20 0.45
▸ GAA P10253 5/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NCF1 P14598 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CNR2 P34972 4/20 0.44
▸ GLA P06280 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL5128181 0.80 MAP4K4 (0.43) ALDH1A1GAAKDM4ESMN1; SMN2NCF1
SCHEMBL31052606 0.79 MAPT (0.53) MEN1KMT2ACYP1A2MAPTCYP2D6
SCHEMBL3837306 0.78 LMNA (0.53) GAAKDM4EHSD17B10TSHRCASP1
Hydrochloric Acid SCHEMBL31052704 0.77 MAPT (0.51) CYP1A2MAPTCYP2D6GAAKDM4E
SCHEMBL4659260 0.77 NPC1 (0.45) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL4918026 0.76 P2RX7 (0.55) SMPD3
SCHEMBL21154003 0.75 KMT2A (0.51) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL4921435 0.74 P2RX7 (0.53) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL12701772 0.72 ALDH1A1 (0.56) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL2369964 0.72 CNR2 (0.50) MEN1KMT2ACYP1A2MAPTCYP2D6

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-20080058309-A1 Novel Compounds 171 ASTRAZENECA AB 2008-03-06 — — US disclosed
WO-2008013494-A1 QUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST AND THEIR USE IN THE TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, COPD AND IBD ASTRAZENECA AB (SE) 2008-01-31 — — 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-20080058309-A1 Novel Compounds 171 C1R, F12, ADRA1D NPC1 371/4885RAB9A 543/4885MEN1 773/4885

“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.

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