SCHEMBL8260628

SCHEMBL8260628

C[C@@H](Cc1ccc(O)cc1)NC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.52
▸ SLC6A2 P23975 2/20 0.52
▸ ESR1 P03372 6/20 0.50
▸ ESR2 Q92731 5/20 0.50
▸ ADRB2 P07550 7/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ ADRB3 P13945 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ ADRB1 P08588 2/20 0.47
▸ ADRA1A P35348 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47

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
SCHEMBL21164635 0.81 OPRK1 (0.55) SLC6A2ESR1ESR2ADRB2CYP3A4
SCHEMBL21089947 0.78 SLC6A4 (0.55) ADRB2ADRB3CYP2D6SLC6A4SIGMAR1
SCHEMBL2958028 0.78 SLC6A4 (0.63) TAAR1SLC6A2ESR1ESR2ADRB2
Pholedrine SCHEMBL2739157 0.78 TAAR1 (0.63) TAAR1SLC6A2ESR1ESR2ADRB2
Pholedrine SCHEMBL119262 0.78 TAAR1 (0.63) TAAR1SLC6A2ESR1ESR2ADRB2
Pholedrine SCHEMBL15286090 0.78 TAAR1 (0.63) TAAR1SLC6A2ESR1ESR2ADRB2
SCHEMBL24716185 0.76 FOLH1 (0.47) TAAR1SLC6A2ESR1ESR2NPSR1
SCHEMBL12907812 0.76 TAAR1 (0.55) TAAR1SLC6A2ESR1ESR2ADRB2
SCHEMBL13996943 0.76 CYP2D6 (0.66) TAAR1SLC6A2ESR1ESR2ADRB2
SCHEMBL23728224 0.76 ADRB2 (0.50) TAAR1SLC6A2ESR1ESR2ADRB2

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-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 — — US disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 — — US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 — — 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-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 TAAR1 97/4885SLC6A2 1393/4885ESR1 705/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 TAAR1 100/4885SLC6A2 1343/4885ESR1 744/4885

“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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