SCHEMBL7089372

SCHEMBL7089372

CN1C2CCC1C(C(=O)O)C(c1ccc(Cl)cc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.75
SLC6A2 P23975 8/20 0.75
SLC6A4 P31645 8/20 0.75

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
SCHEMBL5000852 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7281914 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7281917 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL9129528 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7281762 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7281769 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL5000854 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL8694109 1.00 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL7088777 0.90 SLC6A3 (0.77) SLC6A3SLC6A2SLC6A4
SCHEMBL5007318 0.88 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170115259-A1 HIGH PERFORMANCE LIQUID CHROMATOGRAPHY METHOD FOR ANALYZING IMAGING AGENT, PRECURSOR OF IMAGING AGENT, OR INTERMEDIATE OF IMAGING AGENT Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2017-04-27 US disclosed
US-20170115259-A1 HIGH PERFORMANCE LIQUID CHROMATOGRAPHY METHOD FOR ANALYZING IMAGING AGENT, PRECURSOR OF IMAGING AGENT, OR INTERMEDIATE OF IMAGING AGENT Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2017-04-27 US disclosed
US-20160193202-A1 THERAPEUTIC TREATMENT FOR DRUG POISONING AND ADDICTION ADISPELL, INC. 2016-07-07 US disclosed
US-9233106-B2 Inhibition of beta-amyloid peptide aggregation CORNELL RESEARCH FOUNDATION, INC. (US) 2016-01-12 US disclosed
US-9233106-B2 Inhibition of beta-amyloid peptide aggregation CORNELL RESEARCH FOUNDATION, INC. (US) 2016-01-12 US disclosed
US-20100069468-A1 INHIBITION OF BETA-AMYLOID PEPTIDE AGGREGATION CORNELL RESEARCH FOUNDATION, INC. (US) 2010-03-18 US disclosed
US-20100069468-A1 INHIBITION OF BETA-AMYLOID PEPTIDE AGGREGATION CORNELL RESEARCH FOUNDATION, INC. (US) 2010-03-18 US disclosed
US-6660863-B2 Reacting an cycloheptatriene nitrile compound with nortropane compound NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-12-09 US disclosed
US-6596868-B2 Reacting a cycloheptatriene derivative with a primary amine or ammonia in the presence of a base NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-07-22 US disclosed
US-20030109708-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS CO., LTD. 2003-06-12 US disclosed
US-20010020096-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS CO., LTD. (JP) 2001-09-06 US disclosed
EP-1127887-A1 Process for synthesizing anhydroecgonine derivative NIHON MEDI-PHYSICS Co., Ltd. (JP) 2001-08-29 EP 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 (4 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-20160193202-A1 THERAPEUTIC TREATMENT FOR DRUG POISONING AND ADDICTION CHRNG, CHRM3, CHRNA5 SLC6A3 33/4885SLC6A2 32/4885SLC6A4 119/4885
US-20100069468-A1 INHIBITION OF BETA-AMYLOID PEPTIDE AGGREGATION APP, IAPP, TARDBP SLC6A3 41/4885SLC6A2 35/4885SLC6A4 146/4885
US-20030109708-A1 Process for synthesizing anhydroecgonine derivative CES2, NPR1, OPRL1 SLC6A3 385/4885SLC6A2 185/4885SLC6A4 908/4885
US-20010020096-A1 Process for synthesizing anhydroecgonine derivative CES2, NPR1, OPRL1 SLC6A3 385/4885SLC6A2 185/4885SLC6A4 908/4885

“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.