SCHEMBL5861689

SCHEMBL5861689

Nc1c[nH]c(C(C(=O)N2CCCC2)c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
ADRB2 P07550 1/20 0.42
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 3/20 0.38
CHRM1 P11229 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.38
ESR1 P03372 1/20 0.38
NR4A1 P22736 1/20 0.38
PTK2B Q14289 1/20 0.38
SRD5A2 P31213 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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 SCHEMBL5861812 0.99 ALDH1A1 (0.41) KDM4EALDH1A1ADRB2TSHRCYP2D6
SCHEMBL5860585 0.87 ACHE (0.42) KDM4EALDH1A1ADRB2TSHRCYP2C9
Hydrochloric Acid SCHEMBL5861744 0.86 ACHE (0.41) KDM4EALDH1A1ADRB2TSHRCYP2C9
SCHEMBL5860590 0.81 KDM4E (0.39) KDM4EALDH1A1ADRB2TSHRCYP2D6
SCHEMBL5860558 0.80 AGTR2 (0.46) ALDH1A1
SCHEMBL11730054 0.77 TSHR (0.61) KDM4EALDH1A1ADRB2TSHRCYP2D6
SCHEMBL1590241 0.75 TSHR (0.59) KDM4EALDH1A1ADRB2TSHRCYP2D6
SCHEMBL15617312 0.75 TSHR (0.59) KDM4EALDH1A1ADRB2TSHRCYP2D6
SCHEMBL27825544 0.74 TSHR (0.61) KDM4EALDH1A1ADRB2TSHRCYP2D6
SCHEMBL8334427 0.72 ALDH1A1 (0.42) ALDH1A1LMNAKMT2A

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-6992097-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-01-31 US disclosed
US-20050143318-A1 Growth hormone secretagogues DODGE JEFFREY A (US) 2005-06-30 US disclosed
US-6828331-B1 Non-peptidyl in nature and are, therefore, more metabolically stable than growth hormone, growth hormone releasing hormone, or analogs of either of these proteins ELI LILLY AND COMPANY 2004-12-07 US disclosed
US-20040122234-A1 Growth Hormone secretagogues HAUSER KENNETH LEE (US) 2004-06-24 US disclosed
US-6639076-B1 Such as 2-(2-amino-2-methylpropanoylamino)-n-(1-(2-oxo-1-phenyl-2-pyrrolidinylethyl -4-yl)-4-phenylbutanamide ELI LILLY AND COMPANY 2003-10-28 US disclosed
US-6329342-B1 CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2001-12-11 US disclosed
EP-1153034-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2001-11-14 EP disclosed
WO-2000049037-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2000-08-24 WO disclosed
EP-0933365-A2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 1999-08-04 EP disclosed
EP-0898963-A2 Congestive heart failure treatment ELI LILLY AND COMPANY (US) 1999-03-03 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-20050143318-A1 Growth hormone secretagogues GHSR, GHRHR, SSTR3 KDM4E 3442/4885ALDH1A1 4506/4885ADRB2 234/4885
US-20040122234-A1 Growth Hormone secretagogues GHSR, GHRHR, CRH KDM4E 3260/4885ALDH1A1 4382/4885ADRB2 2162/4885

“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.