SCHEMBL5830169

SCHEMBL5830169

CC(C)(N)Cc1ccc(Oc2ccc(C(N)=O)cc2)c(I)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR5 O14804 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
PARP10 Q53GL7 9/20 0.44
KMT2A Q03164 2/20 0.44
PARP15 Q460N3 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP16 Q8N5Y8 1/20 0.44
PARP11 Q9NR21 1/20 0.44
PARP4 Q9UKK3 1/20 0.44
NR1I2 O75469 1/20 0.44
PPARG P37231 1/20 0.44
AGTR2 P50052 1/20 0.44
MEN1 O00255 1/20 0.44
BLM P54132 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL5830694 0.82 PARP10 (0.61) PARP10KMT2APARP15ALDH1A1PARP14
SCHEMBL5831182 0.81 ICAM1 (0.42) TAAR5TAAR1KMT2ANR1I2PPARG
SCHEMBL5831623 0.74 CTNNB1 (0.60) TAAR1PARP10KMT2AALDH1A1NR1I2
SCHEMBL7251279 0.72 PARP10 (0.58) PARP10KMT2APARP15ALDH1A1PARP14
SCHEMBL16319473 0.72 PARP10 (0.49) PARP10KMT2APARP15ALDH1A1PARP14
SCHEMBL3691973 0.71 OPRM1 (0.61) SLC6A2
Hydrochloric Acid SCHEMBL8070333 0.71 SLC9A1 (0.43)
SCHEMBL27293661 0.69 TAAR5 (0.66) TAAR5TAAR1KMT2ANR1I2PPARG
SCHEMBL21628632 0.68 PARP10 (0.66) PARP10KMT2APARP15ALDH1A1PARP14
SCHEMBL5831185 0.68 SLC6A2 (0.35) TAAR1KMT2ANR1I2PPARGAGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041684-B2 Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2006-05-09 US disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-20020165234-A1 Selective B3 adrenergic agonists CROWELL THOMAS A (US) 2002-11-07 US disclosed
EP-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 EP disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 WO disclosed
EP-0827746-A1 Carbazole analogues as selective B3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-03-11 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 (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-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 TAAR5 81/4885TAAR1 170/4885PARP10 3439/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 TAAR5 117/4885TAAR1 118/4885PARP10 2906/4885

“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.