SCHEMBL840601

SCHEMBL840601

COC(=O)Cc1cn(C2CCNCC2)c2cc(Cl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.45
AKR1C3 P42330 1/20 0.42
HTR6 P50406 3/20 0.41
PRPS1 P60891 1/20 0.41
KCNH2 Q12809 1/20 0.38
PLA2G1B P04054 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK8 P45983 1/20 0.36
F10 P00742 1/20 0.36
PAK1 Q13153 1/20 0.35
SLC5A2 P31639 1/20 0.35
CHRM1 P11229 1/20 0.35

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
Hydrochloric Acid SCHEMBL30958427 0.83 HTR6 (0.47) PTGDR2HTR6TSHRALDH1A1MAPT
SCHEMBL840578 0.83 MAPK8 (0.48) PTGDR2ALDH1A1MAPK8
SCHEMBL6172688 0.76 AKR1C3 (0.49) PTGDR2AKR1C3PRPS1KCNH2PLA2G1B
SCHEMBL841061 0.76 PTGDR2 (0.77) PTGDR2
SCHEMBL24117804 0.75 OPRL1 (0.49) PTGDR2TSHRALDH1A1MAPTHPGD
SCHEMBL6169838 0.75 AKR1C3 (0.47) PTGDR2AKR1C3PRPS1KCNH2PLA2G1B
SCHEMBL30708130 0.71 AKR1C3 (0.51) AKR1C3TSHRHSD17B10ALDH1A1MAPT
SCHEMBL24813004 0.71 AKR1C3 (0.51) AKR1C3TSHRHSD17B10ALDH1A1MAPT
SCHEMBL17813945 0.70 CTSS (0.55) PLA2G1BTSHRHSD17B10ATG4BALDH1A1
SCHEMBL22491590 0.69 HTR6 (0.55) HTR6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA (JP) 2012-06-07 US disclosed
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA (JP) 2012-06-07 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
EP-1932839-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-06-18 EP 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 (2 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-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 PTGDR2 8/4885AKR1C3 412/4885HTR6 108/4885
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, CYSLTR1, CYSLTR2 PTGDR2 7/4885AKR1C3 406/4885HTR6 116/4885

“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.