SCHEMBL739201

SCHEMBL739201

CC(C)NC(Cc1c[nH]c2ccccc12)NC(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.66
HTR1A P08908 3/20 0.66
HTR2C P28335 2/20 0.66
HTR2B P41595 2/20 0.66
ADRB1 P08588 1/20 0.66
ADRA2A P08913 1/20 0.66
SLC6A2 P23975 1/20 0.66
HTR1D P28221 1/20 0.66
HTR1B P28222 1/20 0.66
HTR1E P28566 1/20 0.66
SLC6A4 P31645 1/20 0.66
HTR7 P34969 1/20 0.66
HTR6 P50406 1/20 0.66
SLC6A3 Q01959 1/20 0.66
KDM4E B2RXH2 5/20 0.59
MAPT P10636 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
APAF1 O14727 1/20 0.59
POLB P06746 1/20 0.59
RECQL P46063 1/20 0.59

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
SCHEMBL737936 0.89 GHSR (0.56) HTR2AHTR1AHTR2CHTR2BADRB1
SCHEMBL739054 0.88 KDM4E (0.58) HTR2AHTR1AHTR2CHTR2BADRB1
SCHEMBL737941 0.88 NR3C1 (0.56) HTR2AHTR1AHTR2CHTR2BADRB1
SCHEMBL739053 0.86 HTR2A (0.69) HTR2AHTR1AHTR2CHTR2BADRB1
SCHEMBL14615460 0.85 HTR2A (0.63) HTR2AHTR1AHTR2CHTR2BADRB1
SCHEMBL827572 0.82 HTR2A (0.74) HTR2AHTR1AHTR2CHTR2BADRB1
SCHEMBL180565 0.82 CTSL (0.60) HTR2AHTR1AHTR2CHTR2BADRB1
SCHEMBL13233530 0.81 KDM4E (0.60) HTR2AHTR1AHTR2CHTR2BADRB1
SCHEMBL15592745 0.81 ACE (0.70) KDM4EMAPTL3MBTL1APAF1POLB
SCHEMBL22800779 0.81 KDM4E (0.60) HTR2AHTR1AHTR2CHTR2BADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138218-B2 Growth hormone secretagogues IPSEN PHARMA S.A.S. (FR) 2012-03-20 US disclosed
US-20090131478-A1 Growth Hormone Secretagogues IPSEN PHARMA S.A.S. (FR) 2009-05-21 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 (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-20090131478-A1 Growth Hormone Secretagogues GHSR, GHRHR, GHITM HTR2A 1105/4885HTR1A 1172/4885HTR2C 1917/4885

“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.