SCHEMBL30898

SCHEMBL30898

c1ccc2c(C[C@@H]3CCCN3)c[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 1.00
HTR2A P28223 3/20 0.67
SLC6A4 P31645 1/20 0.61
HTR1A P08908 2/20 0.54
HTR1B P28222 2/20 0.54
HTR2C P28335 2/20 0.54
HTR1F P30939 2/20 0.54
HTR1D P28221 1/20 0.54
HTR7 P34969 1/20 0.54
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51

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
SCHEMBL30675329 1.00 HTR6 (1.00) HTR6HTR2ASLC6A4HTR1AHTR1B
SCHEMBL31403 1.00 HTR6 (1.00) HTR6HTR2ASLC6A4HTR1AHTR1B
SCHEMBL1445683 1.00 HTR6 (1.00) HTR6HTR2ASLC6A4HTR1AHTR1B
SCHEMBL8790419 0.95 HTR6 (0.91) HTR6HTR2ASLC6A4HTR1AHTR1B
SCHEMBL30675328 0.85 HTR6 (0.74) HTR6HTR2ASLC6A4MEN1CYP3A4
SCHEMBL24178288 0.82 HTR6 (0.69) HTR6HTR2ASLC6A4HTR1BHTR2C
SCHEMBL24178316 0.82 HTR6 (0.69) HTR6HTR2ASLC6A4HTR1BHTR2C
SCHEMBL30361714 0.82 HTR6 (0.69) HTR6HTR2ASLC6A4HTR1BHTR2C
SCHEMBL12244120 0.81 HTR6 (0.68) HTR6HTR2AHTR1AHTR1BHTR2C
SCHEMBL23802829 0.81 HTR6 (0.68) HTR6HTR2ASLC6A4HTR1BHTR2C

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-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 HTR6 2080/4885HTR2A 2046/4885SLC6A4 2277/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HTR6 2062/4885HTR2A 1939/4885SLC6A4 2504/4885

“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.