SCHEMBL4128931

SCHEMBL4128931

COc1ccc(C(=O)N2CCC(O)c3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 2/20 0.58
TSHR P16473 1/20 0.58
P2RY1 P47900 2/20 0.55
AVPR2 P30518 4/20 0.53
AVPR1A P37288 4/20 0.53
OXTR P30559 1/20 0.53
SIRT3 Q9NTG7 1/20 0.51
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4129674 0.86 TSHR (0.61) SMN1; SMN2ALDH1A1TSHRMAPTKMT2A
SCHEMBL1800914 0.85 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2ALDH1A1TSHRP2RY1
SCHEMBL842376 0.85 AVPR2 (0.54) RAB9ASMN1; SMN2ALDH1A1AVPR2AVPR1A
SCHEMBL6418776 0.84 PDE4A (0.61) ALDH1A1AVPR2AVPR1AOXTRKDM4E
SCHEMBL4131021 0.81 P2RY1 (0.66) RAB9ASMN1; SMN2ALDH1A1TSHRP2RY1
SCHEMBL1171653 0.80 KMT2A (0.57) RAB9ASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL1171649 0.80 KMT2A (0.57) RAB9ASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL11091013 0.80 KMT2A (0.57) RAB9ASMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL24157994 0.76 RAB9A (1.00) RAB9ASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL12617577 0.76 MGLL (0.45) RAB9ASMN1; SMN2ALDH1A1TSHRP2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 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 (4 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 RAB9A 2883/4885SMN1; SMN2 4770/4885ALDH1A1 1599/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 RAB9A 2765/4885SMN1; SMN2 4803/4885ALDH1A1 2039/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 RAB9A 2883/4885SMN1; SMN2 4770/4885ALDH1A1 1599/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 RAB9A 3346/4885SMN1; SMN2 4763/4885ALDH1A1 1663/4885

“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.