SCHEMBL6900044

SCHEMBL6900044

Cc1ccc2c(c1)[C@H](N)[C@H](O)CO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.42
HTR1A P08908 2/20 0.42
HTR2B P41595 2/20 0.42
SLC6A2 P23975 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HCRTR2 O43614 1/20 0.40
CYP19A1 P11511 2/20 0.36
ADRA2A P08913 1/20 0.36
CA2 P00918 1/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR1 O14842 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL13834541 1.00 HTR2C (0.42) HTR2CHTR1AHTR2BSLC6A2SIGMAR1
SCHEMBL13834521 0.80 GRM7 (0.41) HCRTR2CYP19A1CA2
SCHEMBL2610214 0.80 DRD2 (0.40) HTR2CHTR1AHCRTR2CYP19A1ADRA2A
SCHEMBL6899490 0.80 GRM7 (0.41) HCRTR2CYP19A1CA2
SCHEMBL6899244 0.80 HCRTR2 (0.43) HCRTR2CYP19A1ADRA2ACA2KMT2A
SCHEMBL2112685 0.80 DRD2 (0.40) HTR2CHTR1AHCRTR2CYP19A1ADRA2A
SCHEMBL8278342 0.80 HCRTR2 (0.44) HTR2CHTR1AHCRTR2KMT2AALDH1A1
SCHEMBL5713612 0.80 HCRTR2 (0.44) HTR2CHTR1AHCRTR2KMT2AALDH1A1
SCHEMBL11859656 0.79 HCRTR2 (0.44) HTR2CHTR1AHTR2BSLC6A2SIGMAR1
SCHEMBL10145621 0.79 HTR2C (0.46) HTR2CHTR1AHTR2BSLC6A2SIGMAR1

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
EP-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
EP-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
US-8592429-B2 5-amino-4-hydroxypentoyl amides JANSSEN R&D IRELAND (IE) 2013-11-26 US disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
WO-2011070131-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES TIBOTEC PHARMACEUTICALS (IE) 2011-06-16 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 (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-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES C1S, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-10 HTR2C 2154/4885HTR1A 1166/4885HTR2B 2475/4885

“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.