SCHEMBL8245441

SCHEMBL8245441

CC(C)CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.67
CCR3 P51677 1/20 0.65
ALDH1A1 P00352 1/20 0.56
CXCR4 P61073 1/20 0.56
SIGMAR1 Q99720 1/20 0.55

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
SCHEMBL17562354 0.90 ACHE (0.58) ACHECCR3ALDH1A1CXCR4
SCHEMBL22751978 0.90 ACHE (0.58) ACHECCR3ALDH1A1CXCR4
SCHEMBL4505448 0.87 CCR3 (0.61) ACHECCR3ALDH1A1CXCR4SIGMAR1
SCHEMBL27616228 0.87 CCR3 (0.61) ACHECCR3ALDH1A1CXCR4
SCHEMBL24307313 0.84 HRH3 (0.50) ACHECCR3ALDH1A1
SCHEMBL14102447 0.84 CCR3 (0.61) ACHECCR3ALDH1A1CXCR4
SCHEMBL19728167 0.84 ACHE (0.69) ACHECCR3
SCHEMBL24317322 0.83 FUCA1 (0.51) ACHECCR3SIGMAR1
SCHEMBL20214251 0.83 CCR3 (0.59) ACHECCR3ALDH1A1CXCR4
SCHEMBL8254766 0.82 CHRNB2 (0.59) ALDH1A1CXCR4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
US-10301253-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-05-28 US disclosed
EP-3250552-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2019-03-27 EP disclosed
WO-2019046784-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR CORVUS PHARMACEUTICALS, INC. (US) 2019-03-07 WO disclosed
US-9981972-B2 N-hydroxy bicyclic hydantoin carbamates as tools for identification of serine hydrolase targets ABIDE THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-9981972-B2 N-hydroxy bicyclic hydantoin carbamates as tools for identification of serine hydrolase targets ABIDE THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-20180009735-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-11 US disclosed
US-20170183353-A1 N-HYDROXY BICYCLIC HYDANTOIN CARBAMATES AS TOOLS FOR INDETIFICATION OF SERINE HYDROLASE TARGETS H. LUNDBECK A/S (DK) 2017-06-29 US disclosed
US-20170183353-A1 N-HYDROXY BICYCLIC HYDANTOIN CARBAMATES AS TOOLS FOR INDETIFICATION OF SERINE HYDROLASE TARGETS H. LUNDBECK A/S (DK) 2017-06-29 US disclosed
US-20160046590-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INST TECHNOLOGY (US) 2016-02-18 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 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 (6 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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 ACHE 2931/4885CCR3 1947/4885ALDH1A1 665/4885
US-20180009735-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, HDAC1, DOT1L ACHE 3792/4885CCR3 4420/4885ALDH1A1 272/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 ACHE 43/4885CCR3 4801/4885ALDH1A1 1197/4885
US-20170183353-A1 N-HYDROXY BICYCLIC HYDANTOIN CARBAMATES AS TOOLS FOR INDETIFICATION OF SERINE HYDROLASE TARGETS HPN, BCHE, PRSS1 ACHE 119/4885CCR3 1854/4885ALDH1A1 1289/4885
US-10301253-B2 Therapeutic compounds and uses thereof KDM1B, HDAC1, DOT1L ACHE 3792/4885CCR3 4420/4885ALDH1A1 272/4885
US-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO ACHE 4800/4885CCR3 4483/4885ALDH1A1 3382/4885

“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.