SCHEMBL12124013

SCHEMBL12124013

Nc1c[nH]c2ccc(CCCN3CCN(c4ccc5oc(=O)ccc5c4)CC3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.51
SLC6A2 P23975 9/20 0.49
SLC6A3 Q01959 9/20 0.49
SLC6A4 P31645 7/20 0.49
DRD2 P14416 4/20 0.49
ADRA2A P08913 2/20 0.49
ADRA2C P18825 2/20 0.49
ADRA1D P25100 2/20 0.49
HTR7 P34969 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
ADRA2B P18089 1/20 0.49
KCNH2 Q12809 1/20 0.49
DRD4 P21917 4/20 0.48
SIGMAR1 Q99720 2/20 0.48
ADRB2 P07550 1/20 0.48
FPR3 P25089 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
GPR183 P32249 1/20 0.48

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
SCHEMBL13638610 0.89 HTR1A (0.53) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL1323787 0.87 HTR1A (0.53) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL12123757 0.87 HTR1A (0.67) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL12123764 0.82 HTR1A (0.50) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL12123769 0.81 HTR1A (0.49) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL1323840 0.80 HTR1A (0.56) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL12124063 0.80 SLC6A2 (0.64) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL7787370 0.78 HTR1A (0.64) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL5232348 0.78 HTR1A (0.65) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL5201424 0.78 HTR1A (0.75) HTR1ASLC6A2SLC6A3SLC6A4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058277-B2 Substituted indoles MERCK PATENT GMBH (DE) 2011-11-15 US disclosed
US-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 US disclosed
US-7572796-B2 Substituted indoles MERCK PATENT GMBH (DE) 2009-08-11 US disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 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 (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-20090054459-A1 Substituted indoles TPH2, TPH1, HTR1A HTR1A 3/4885SLC6A2 30/4885SLC6A3 51/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A HTR1A 3/4885SLC6A2 31/4885SLC6A3 47/4885

“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.