SCHEMBL6321985

SCHEMBL6321985

COC(=O)Nc1ccc(C(CCNCc2ccccc2)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
CASR P41180 7/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MITF O75030 2/20 0.50
GPR55 Q9Y2T6 3/20 0.49
CNR1 P21554 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CNR2 P34972 1/20 0.49
GPR35 Q9HC97 1/20 0.49
XBP1 P17861 1/20 0.49
MAPK1 P28482 1/20 0.49
HPGD P15428 1/20 0.48
EPHX1 P07099 1/20 0.46
TP53 P04637 1/20 0.45
HTR1A P08908 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
Hydrochloric Acid SCHEMBL7027322 0.99 MEN1 (0.55) MEN1KMT2ACASRSMN1; SMN2NPC1
SCHEMBL7611177 0.86 RAB9A (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7022015 0.86 CASR (0.53) MEN1KMT2ACASRSMN1; SMN2MITF
SCHEMBL7032239 0.83 CASR (0.59) MEN1KMT2ACASRSMN1; SMN2NPC1
SCHEMBL7024089 0.78 SMN1; SMN2 (0.51) CASRSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6322828 0.77 MEN1 (0.86) MEN1KMT2ACASRSMN1; SMN2MITF
SCHEMBL6327240 0.77 MEN1 (0.70) MEN1KMT2A
SCHEMBL7033981 0.77 MEN1 (0.70) MEN1KMT2A
SCHEMBL7028010 0.77 MEN1 (0.60) MEN1KMT2ACASRSMN1; SMN2MITF
Hydrochloric Acid SCHEMBL7027080 0.77 MEN1 (0.68) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US disclosed
US-20030032834-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-13 US disclosed
EP-1257528-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2002036552-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-10 WO disclosed
WO-2001060786-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 MEN1 3533/4885KMT2A 3075/4885CASR 2658/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 MEN1 3327/4885KMT2A 3010/4885CASR 2834/4885
US-20030032834-A1 Aminoalcohol derivatives ADRB1, ADRB2, ADRB3 MEN1 4166/4885KMT2A 3486/4885CASR 1433/4885

“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.