SCHEMBL2054517

SCHEMBL2054517

CC(=O)Nc1cc([C@@H](O)CN)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 5/20 0.63
▸ BLM P54132 5/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ MAPT P10636 3/20 0.56
▸ RECQL P46063 3/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ TAAR1 Q96RJ0 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ APEX1 P27695 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ ADRB2 P07550 2/20 0.56
▸ ADRB1 P08588 2/20 0.56
▸ ADRA2A P08913 2/20 0.56
▸ ADRA2B P18089 2/20 0.56
▸ ADRA2C P18825 2/20 0.56
▸ ADRA1D P25100 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ DRD2 P14416 1/20 0.56

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
SCHEMBL7150572 0.86 ADRB3 (0.55) ADRB3BLMKDM4EMAPTRECQL
SCHEMBL14099871 0.86 ADRB3 (0.61) ADRB3BLMKDM4EMAPTRECQL
SCHEMBL10391023 0.84 KDM4E (0.62) ADRB3BLMKDM4EMAPTRECQL
SCHEMBL7150607 0.84 ADRB3 (0.58) ADRB3BLMKDM4EMAPTRECQL
SCHEMBL7153850 0.81 NFKB1 (0.55) ADRB3BLMKDM4EMAPTLMNA
SCHEMBL11670126 0.80 ADRB2 (0.57) ADRB3ADRB2ADRB1
Hydrochloric Acid SCHEMBL11750674 0.78 ADRB2 (0.56) ADRB3ADRB2ADRB1
SCHEMBL5943668 0.78 ADRB3 (1.00) ADRB3ADRB2
SCHEMBL3984857 0.78 ADRB3 (1.00) ADRB3ADRB2
SCHEMBL7120011 0.78 ADRB3 (1.00) ADRB3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 — — US disclosed
US-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 — — US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 — — US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 — — US disclosed
US-20030143701-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-31 — — US disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 — — EP disclosed
US-6528686-B1 Reacting primary amine and ketone functionalized derivatives; catalytically reducing DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 — — US disclosed
EP-0924193-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-02-19 — — EP disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 — — EP disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 — — US disclosed
EP-0654534-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2000-03-01 — — EP disclosed
EP-0939134-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-01 — — EP disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 — — EP disclosed
EP-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 — — EP disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 — — US disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 — — US disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 — — EP 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-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY CACNA1C, CACNA1B, CACNA1G ADRB3 62/4885BLM 3756/4885KDM4E 3136/4885

“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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