SCHEMBL3252178

SCHEMBL3252178

CC(C)C1(c2ccccc2)CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.55
HTR2A P28223 1/20 0.47
TACR1 P25103 3/20 0.40
CYP2D6 P10635 4/20 0.40
USP2 O75604 4/20 0.40
CYP2C9 P11712 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 3/20 0.39
CYP2C19 P33261 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
AKT2 P31751 1/20 0.37
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4576233 0.85 CYP2D6 (0.45) OPRM1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9790835 0.85 OPRM1 (0.52) OPRM1HTR2ATACR1CYP2D6USP2
SCHEMBL21239901 0.81 SLC6A4 (0.50) OPRM1CYP2D6CYP3A4TSHRSLC6A2
SCHEMBL27623984 0.80 OPRM1 (0.47) OPRM1HTR2ATACR1CYP2D6CYP1A2
SCHEMBL27623986 0.80 OPRM1 (0.47) OPRM1HTR2ATACR1CYP2D6USP2
Hydrogen Peroxide SCHEMBL11527807 0.78 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL21937564 0.76 ALDH1A1 (0.49) OPRM1CYP2D6USP2CYP2C9TSHR
SCHEMBL6991226 0.76 OPRM1 (0.50) OPRM1HTR2ATACR1CYP2D6USP2
SCHEMBL22479057 0.74 OPRM1 (0.52) OPRM1HTR2ACYP2D6TSHRSLC6A4
SCHEMBL19226675 0.74 OPRM1 (0.48) OPRM1HTR2ATACR1CYP2D6USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
WO-2020210630-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS C4 THERAPEUTICS, INC. (US) 2020-10-15 WO disclosed
CN-101973998-A Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARM INC 2011-02-16 CN disclosed
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
CN-1816551-A Pyrrolopyrimidine A2bSelective antagonist compounds, their synthesis and use OSI PHARM INC (US) 2006-08-09 CN 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 (3 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 OPRM1 14/4885HTR2A 115/4885TACR1 93/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 OPRM1 30/4885HTR2A 111/4885TACR1 51/4885
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 OPRM1 4512/4885HTR2A 3244/4885TACR1 4801/4885

“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.