SCHEMBL6780134

SCHEMBL6780134

COc1cccc2sc(C3CC4CCC(C3)N4)cc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.48
SLC6A4 P31645 8/20 0.46
CA2 P00918 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL6780132 1.00 HTR1A (0.48) HTR1ASLC6A4CA2HDAC3HDAC4
SCHEMBL6783163 1.00 HTR1A (0.48) HTR1ASLC6A4CA2HDAC3HDAC4
SCHEMBL5762725 0.82 HTR2C (0.51) HTR1ASLC6A4CA2HDAC3HDAC4
SCHEMBL8184082 0.82 CA2 (0.48) HTR1ASLC6A4CA2HDAC3HDAC4
Hydrochloric Acid SCHEMBL7095913 0.81 HTR2C (0.52) HTR1ASLC6A4CA2HDAC3HDAC4
SCHEMBL5759587 0.80 HTR1A (0.47) HTR1ASLC6A4CA2
SCHEMBL5757169 0.80 HTR1A (0.47) HTR1ASLC6A4CA2
SCHEMBL7505264 0.80 HTR1A (0.47) HTR1ASLC6A4CA2
SCHEMBL7118568 0.80 HTR1A (0.47) HTR1ASLC6A4CA2
SCHEMBL5760790 0.80 HTR1A (0.47) HTR1ASLC6A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367818-B1 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES AND THEIR USE AS MONO-AMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS INITIATOR PHARMA AS (DK) 2018-07-25 EP disclosed
US-6835733-B2 Useful for treating depression, anxiety, and alleviating the symptoms caused by withdrawal or partial withdrawal from tobacco or nicotine. ELI LILLY AND COMPANY 2004-12-28 US disclosed
US-20030130513-A1 Useful for treating depression, anxiety, and alleviating the symptoms caused by withdrawal or partial withdrawal from tobacco or nicotine. ELI LILLY AND COMPANY 2003-07-10 US disclosed
EP-1242419-A1 AZABICYCLO 3.2.1]OCTANE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001046187-A1 AZABICYCLO[3.2.1]OCTANE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 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-20030130513-A1 Useful for treating depression, anxiety, and alleviating the symptoms caused by withdrawal or partial withdrawal from tobacco or nicotine. CHRNA5, CHRNA1, CHRNA2 HTR1A 15/4885SLC6A4 96/4885CA2 2918/4885

“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.