SCHEMBL3164947

SCHEMBL3164947

O=c1ccc(C(c2ccccc2)c2ccccc2)cn1CCCc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.53
▸ MAPT P10636 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ PTGDR2 Q9Y5Y4 4/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HTR2A P28223 2/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RECQL P46063 1/20 0.43

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
SCHEMBL3175225 0.88 PTGDR2 (0.49) HTR1AMAPTTDP1PTGDR2HTR2A
SCHEMBL3169190 0.76 PTGDR2 (0.51) MAPTPTGDR2HPGD
SCHEMBL3175912 0.75 DAO (0.45) MAPTPTGDR2MEN1GAAKMT2A
SCHEMBL3179431 0.75 PTGDR2 (0.52) PTGDR2
SCHEMBL27771713 0.75 PTGDR2 (0.48) PTGDR2HTR2A
SCHEMBL3175120 0.73 PTGDR2 (0.55) PTGDR2HPGD
SCHEMBL17949550 0.73 PTGDR2 (0.55) TDP1PTGDR2MEN1KMT2AHPGD
SCHEMBL17943478 0.72 PTGDR2 (0.46) MAPTPTGDR2NPC1RAB9AHPGD
SCHEMBL4418272 0.72 PTGDR2 (0.51) MAPTPTGDR2HPGD
SCHEMBL3176262 0.71 PTGDR2 (0.67) PTGDR2MEN1KMT2A

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-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 — — US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 — — EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 — — 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 HTR1A 2025/4885MAPT 2720/4885TDP1 4797/4885

“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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