SCHEMBL5779003

SCHEMBL5779003

O=C1CCCc2c1c(Sc1ccc(Cl)cc1)c1c(Br)cc(F)cn21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.36
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
OPRM1 P35372 1/20 0.33
SRC P12931 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
AKR1B1 P15121 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5772790 0.73 TBXA2R (0.40) TBXA2RAKR1B1PTGDR2
SCHEMBL5779000 0.66 TBXA2R (0.55) TBXA2RAKR1B1PTGDR2
SCHEMBL1055478 0.63 PTGDR2 (0.46) OPRM1AKR1B1PTGDR2TSHRHTT
SCHEMBL1053305 0.63 PTGDR2 (0.55) AKR1B1PTGDR2
SCHEMBL11891657 0.60 KDM4E (0.42) AKR1B1PTGDR2
SCHEMBL1052592 0.60 BRD4 (0.48)
SCHEMBL14463000 0.59 AKR1C3 (0.40) OPRM1
SCHEMBL3541411 0.58 MEN1 (0.47) TBXA2RAKR1B1PTGDR2
SCHEMBL24109657 0.57 ALDH1A1 (0.35) HDAC1HDAC6
SCHEMBL31127765 0.56 MAOA (0.33)

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 TBXA2R 22/4885PTGS1 8/4885PTGS2 7/4885

“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.