SCHEMBL73024

SCHEMBL73024

COc1nnc(C(=O)Cl)cc1C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.36
▸ PTGDR Q13258 5/20 0.35
▸ NSD2 O96028 1/20 0.34
▸ NSD1 Q96L73 1/20 0.34
▸ NSD3 Q9BZ95 1/20 0.34
▸ LPAR5 Q9H1C0 1/20 0.34
▸ HPSE Q9Y251 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ PTGER2 P43116 1/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ KMO O15229 1/20 0.31
▸ ADCY1 Q08828 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ STAT1 P42224 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL71485 0.88 KMO (0.42) PTGDR2PTGDRNSD2NSD1NSD3
Hydrochloric Acid SCHEMBL73025 0.87 KMO (0.41) PTGDR2PTGDRNSD2NSD1NSD3
SCHEMBL72221 0.73 HTR2A (0.33) PTGDR2HTR2A
SCHEMBL15633752 0.68 CNR2 (0.33) ALDH1A1
SCHEMBL31312237 0.68 PTGDR2 (0.38) PTGDR2PTGDRTSHRALDH1A1GFER
SCHEMBL25841551 0.67 GCK (0.30) —
SCHEMBL7436101 0.66 PTGDR2 (0.48) PTGDR2PTGDRPTGER2HTR2AMEN1
SCHEMBL22869266 0.63 NT5E (0.48) ALDH1A1
SCHEMBL29527100 0.63 ALOX5AP (0.37) PTGDR2HTR2A
SCHEMBL29387879 0.62 QPCT (0.37) PTGDR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129537-B2 Compounds as PDE IV and TNF inhibitors RHONE-POULENC RORER LIMITED (GB) 2012-03-06 — — US disclosed
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 — — US disclosed
US-7652144-B2 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2010-01-26 — — US disclosed
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2008-06-05 — — US disclosed
US-7045660-B2 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-05-16 — — US disclosed
US-20060084809-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-04-20 — — US disclosed
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2004-09-02 — — US disclosed
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors FENTON GARRY (GB) 2003-01-16 — — US disclosed
US-6472412-B1 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2002-10-29 — — US disclosed
EP-0711282-B1 COMPOUNDS AS PDE IV AND TNF INHIBITORS AVENTIS PHARMA LTD (GB) 2002-06-05 — — EP disclosed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 — — EP disclosed
WO-1995004045-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 — — 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 (5 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-20060084809-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE4C PTGDR2 301/4885PTGDR 251/4885NSD2 2870/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PTGDR2 291/4885PTGDR 232/4885NSD2 2965/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PTGDR2 280/4885PTGDR 230/4885NSD2 2937/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PTGDR2 280/4885PTGDR 230/4885NSD2 2937/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PTGDR2 291/4885PTGDR 232/4885NSD2 2965/4885

“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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