SCHEMBL3242340

SCHEMBL3242340

COc1ccccc1C1(OC)CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.66
DRD2 P14416 2/20 0.48
CYP2D6 P10635 2/20 0.44
USP2 O75604 1/20 0.44
HTR2C P28335 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD3 P35462 1/20 0.44
HTR3A P46098 1/20 0.44
HTR6 P50406 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL1659035 0.81 SIGMAR1 (0.68) SIGMAR1DRD2CYP2D6USP2HTR2C
SCHEMBL30976388 0.81 SIGMAR1 (0.68) SIGMAR1DRD2CYP2D6USP2HTR2C
SCHEMBL10008426 0.79 SIGMAR1 (0.45) SIGMAR1DRD2HTR2CADRB1LMNA
Hydrochloric Acid SCHEMBL3251133 0.79 OPRM1 (0.51) SIGMAR1DRD2HTR2CADRB1LMNA
SCHEMBL30368868 0.79 SIGMAR1 (1.00) SIGMAR1DRD2CYP2D6USP2HTR2C
SCHEMBL23647452 0.79 SIGMAR1 (0.66) SIGMAR1DRD2CYP2D6USP2HTR2C
SCHEMBL29993586 0.79 SIGMAR1 (0.66) SIGMAR1DRD2CYP2D6USP2HTR2C
SCHEMBL5805869 0.79 SIGMAR1 (1.00) SIGMAR1DRD2CYP2D6USP2HTR2C
Hydrochloric Acid SCHEMBL3249328 0.78 SIGMAR1 (0.44) SIGMAR1DRD2HTR2CADRB1LMNA
SCHEMBL12897761 0.78 HTR3E (0.49) SIGMAR1DRD2CYP2D6HTR2CHTR3E

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 7 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
EP-1467995-A4 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-12-07 EP disclosed
EP-1467995-A2 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-20 EP disclosed
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-12-11 US disclosed
WO-2003053361-A2 PYRROLOPYRIMIDINE A2b SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 WO 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 38/4885DRD2 169/4885CYP2D6 368/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 SIGMAR1 102/4885DRD2 190/4885CYP2D6 462/4885

“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.