SCHEMBL4448537

SCHEMBL4448537

NC(=O)c1c(N2CCNCC2)ccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.56
HTR5A P47898 2/20 0.56
HTR2A P28223 2/20 0.56
NCF1 P14598 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
CYP1A2 P05177 1/20 0.56
HTR1A P08908 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
HTR7 P34969 1/20 0.56
MTOR P42345 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SIGMAR1 Q99720 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
SCHEMBL4918483 0.80 BACE1 (0.53) HTR6HTR5AHTR2ANCF1HTR3E
SCHEMBL27607092 0.77 HTR2C (0.43) HTR6HTR5AHTR2ANCF1HTR3E
SCHEMBL3622299 0.77 HTR6 (0.67) HTR6HTR5AHTR2ANCF1HTR3E
SCHEMBL28713189 0.75 NPC1 (0.51) HTR6HTR5AHTR2ANCF1HTR3E
SCHEMBL4918486 0.74 HTR6 (0.50) HTR6HTR5AHTR2ANCF1HTR3E
SCHEMBL28715613 0.74 NPC1 (0.50) HTR6HTR5AHTR2ANCF1HTR3E
SCHEMBL2657891 0.74 HTR6 (0.59) HTR6HTR5AHTR2ANCF1HTR3E
SCHEMBL29385724 0.73 HTR6 (1.00) HTR6HTR5AHTR2ANCF1HTR3E
SCHEMBL240244 0.73 HTR6 (1.00) HTR6HTR5AHTR2ANCF1HTR3E
SCHEMBL3166780 0.73 HTR6 (1.00) HTR6HTR5AHTR2ANCF1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724381-B2 Methods of inhibiting the ghrelin/growth hormone secretatogue receptor pathway and uses thereof THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2017-08-08 US disclosed
US-20170049849-A9 METHODS OF INHIBITING THE GHRELIN/GROWTH HORMONE SECRETATOGUE RECEPTOR PATHWAY AND USES THEREOF THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2017-02-23 US disclosed
US-9315546-B2 Growth hormone secretatogue receptor antagonists and uses thereof THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2016-04-19 US disclosed
US-20150031605-A1 METHODS OF INHIBITING THE GHRELIN/GROWTH HORMONE SECRETATOGUE RECEPTOR PATHWAY AND USES THEREOF UNIV TULANE (US) 2015-01-29 US disclosed
US-8536120-B2 Ghrelin/growth hormone releasing peptide/growth hormone secretatogue receptor antagonists and uses thereof THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2013-09-17 US disclosed
US-20130172242-A1 GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF MCGILL UNIVERSITY (CA) 2013-07-04 US disclosed
US-20090069245-A1 GHRELIN/GROWTH HORMONE RELEASING PEPTIDE/GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2009-03-12 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 (4 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-20090069245-A1 GHRELIN/GROWTH HORMONE RELEASING PEPTIDE/GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF GHSR, GHRHR, GIPR HTR6 241/4885HTR5A 138/4885HTR2A 152/4885
US-20150031605-A1 METHODS OF INHIBITING THE GHRELIN/GROWTH HORMONE SECRETATOGUE RECEPTOR PATHWAY AND USES THEREOF GHSR, GIPR, GHRHR HTR6 443/4885HTR5A 480/4885HTR2A 883/4885
US-20170049849-A9 METHODS OF INHIBITING THE GHRELIN/GROWTH HORMONE SECRETATOGUE RECEPTOR PATHWAY AND USES THEREOF GHSR, GIPR, GHRHR HTR6 443/4885HTR5A 480/4885HTR2A 883/4885
US-20130172242-A1 GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF GHSR, GHRHR, GIPR HTR6 288/4885HTR5A 165/4885HTR2A 158/4885

“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.