SCHEMBL5778702

SCHEMBL5778702

CSc1cccc2[nH]cc(Cc3ccc(Cl)cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.49
SLC5A2 P31639 4/20 0.46
FFAR1 O14842 1/20 0.42
SLC5A1 P13866 3/20 0.41
HTR2A P28223 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR6 P50406 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
SLC6A4 P31645 1/20 0.37
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL5778291 0.75 NPC1 (0.40) GPR84MEN1KMT2ANPC1LMNA
SCHEMBL10615515 0.74 HTR2A (0.62) GPR84FFAR1HTR2AHTR6MAPT
SCHEMBL5774016 0.73 SLC2A1 (0.38) LMNAMAPT
SCHEMBL5774387 0.71 MEN1 (0.74) GPR84HTR2AMEN1KMT2AHTR6
SCHEMBL19872766 0.69 GPR17 (0.50) HTR2AMEN1KMT2AHTR6MAPT
SCHEMBL24317844 0.68 GPR84 (0.42) GPR84FFAR1HTR2AMEN1KMT2A
SCHEMBL16650024 0.68 GPR84 (0.73) GPR84SLC5A2FFAR1SLC5A1HTR2A
SCHEMBL21026823 0.67 IDO1 (0.56) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL22275228 0.67 GPR84 (0.44) GPR84FFAR1HTR2AMEN1KMT2A
SCHEMBL3410158 0.67 GPR84 (0.53) GPR84SLC5A2FFAR1SLC5A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 US 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-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR GPR84 125/4885SLC5A2 3602/4885FFAR1 212/4885

“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.