SCHEMBL3252055

SCHEMBL3252055

C[C@@H]1CN[C@@H](C)CN1CCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 1.00
▸ OGA O60502 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
SCHEMBL3252058 1.00 SIGMAR1 (1.00) SIGMAR1OGA
SCHEMBL3252059 1.00 SIGMAR1 (1.00) SIGMAR1OGA
SCHEMBL11795394 0.85 SIGMAR1 (0.74) SIGMAR1
SCHEMBL11795413 0.85 SIGMAR1 (0.74) SIGMAR1
SCHEMBL11795403 0.85 SIGMAR1 (0.74) SIGMAR1
SCHEMBL11787522 0.82 SIGMAR1 (0.69) SIGMAR1
SCHEMBL11787525 0.82 SIGMAR1 (0.69) SIGMAR1
SCHEMBL11787517 0.82 SIGMAR1 (0.69) SIGMAR1
SCHEMBL103704 0.81 SIGMAR1 (0.68) SIGMAR1
SCHEMBL15679632 0.81 SIGMAR1 (0.68) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467995-B1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-05-19 — — EP disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 — — US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 — — US disclosed
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-12-11 — — US disclosed
US-4041038-A ANESTHETICS KYORIN PHARMACEUTICAL CO., LTD. (JA) 1977-08-09 — — US disclosed
US-3962249-A 1-(3-PHENYLPROPYL)-4-FUROYLPIPERAZINE DERIVATIVES KYORIN SEIYAKU KABUSHIKI KAISHA (JA) 1976-06-08 — — 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 (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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B SIGMAR1 38/4885OGA 758/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 SIGMAR1 102/4885OGA 446/4885

“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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