SCHEMBL15979602

SCHEMBL15979602

COc1ccc(N2CCN(C(O)C[C@@H](OC(N)=O)c3ccccc3)CC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2B P41595 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45

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
SCHEMBL904492 0.91 ADRB1 (0.55) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL12378394 0.88 MAPT (0.45) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL14015983 0.84 ADRB1 (0.48) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL12378451 0.82 ADRB1 (0.55) ADRB1HTR2AHTR2BSIGMAR1ADRA1A
SCHEMBL904556 0.82 ADRB1 (0.55) ADRB1HTR2AHTR2BSIGMAR1ADRA1A
SCHEMBL12378435 0.82 ADRB1 (0.55) ADRB1HTR2AHTR2BSIGMAR1ADRA1A
SCHEMBL2291016 0.81 ADRB1 (0.58) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL3411478 0.79 ADRB1 (0.70) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2115763 0.79 ADRB1 (0.70) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2116100 0.78 ADRB1 (0.50) ADRB1HTR2AHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243352-A1 METHODS FOR TREATING DIABETIC COMPLICATIONS WITH CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUNDS SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-08-28 US disclosed
US-20140243352-A1 METHODS FOR TREATING DIABETIC COMPLICATIONS WITH CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUNDS SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-08-28 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 (1 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-20140243352-A1 METHODS FOR TREATING DIABETIC COMPLICATIONS WITH CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUNDS LIPG, DPP7, IAPP ADRB1 491/4885HTR2A 1027/4885HTR2B 1212/4885

“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.