SCHEMBL1998835

SCHEMBL1998835

c1ccc2c(CC3CCNCC3)c[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 1.00
HTR6 P50406 8/20 0.61
HTR2C P28335 2/20 0.57
ADRB2 P07550 1/20 0.57
MEN1 O00255 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
AHR P35869 1/20 0.55
KMT2A Q03164 1/20 0.55
GPR84 Q9NQS5 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL30592374 1.00 SLC6A4 (1.00) SLC6A4HTR6HTR2CADRB2MEN1
SCHEMBL27923059 0.90 SLC6A4 (0.82) SLC6A4HTR6HTR2CADRB2MEN1
SCHEMBL12765737 0.90 SLC6A4 (0.81) SLC6A4HTR6MEN1CYP3A4MAPT
Indalpine SCHEMBL29604957 0.86 SLC6A4 (1.00) SLC6A4HTR6HTR2CADRB2CYP3A4
Indalpine SCHEMBL3863561 0.86 SLC6A4 (1.00) SLC6A4HTR6HTR2CADRB2CYP3A4
Indalpine SCHEMBL49135 0.86 SLC6A4 (1.00) SLC6A4HTR6HTR2CADRB2CYP3A4
SCHEMBL733304 0.85 SLC6A4 (0.73) SLC6A4HTR6MEN1CYP3A4MAPT
Indalpine SCHEMBL141694 0.84 SLC6A4 (0.97) SLC6A4HTR6HTR2CADRB2CYP3A4
SCHEMBL4822564 0.83 SLC6A4 (0.71) SLC6A4HTR6HTR2CMEN1CYP3A4
SCHEMBL10119656 0.82 SLC6A4 (0.69) SLC6A4HTR6HTR2CADRB2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605385-B Indole piperidine urea TRPV1 antagonism/FAAH inhibition double-target drug, preparation method and application 河南大学 2023-09-08 CN disclosed
CN-114605385-A Indolopiperidine urea TRPV1 antagonistic/FAAH inhibition double-target medicine and preparation method and application thereof 河南大学 2022-06-10 CN disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
EP-1355900-A2 HETEROCYCLYLALKYLINDOLE OR -AZAINDOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-10-29 EP disclosed
EP-1073651-B1 INDOLYL DERIVATIVES AS SEROTONERGIC AGENTS WYETH CORP (US) 2002-09-25 EP disclosed
WO-2002051832-A2 HETEROCYCLYLALKYLINDOLE OR -AZAINDOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-07-04 WO disclosed
CN-1307576-A Serotongergic agents AMERICAN HOME PROD (US) 2001-08-08 CN disclosed
CN-1307573-A Indolyl derivatives and serotonergic agents AMERICAN HOME PROD (US) 2001-08-08 CN disclosed
EP-1076658-A1 SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-21 EP disclosed
EP-1073651-A1 INDOLYL DERIVATIVES AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-07 EP disclosed
US-6066637-A NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-23 US disclosed
WO-1999055697-A1 SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-04 WO disclosed
WO-1999055695-A1 INDOLYL DERIVATIVES AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-04 WO disclosed
US-5114949-A Treating disorders associated with 5HT uptake RHONE-POULENC SANTE (FR) 1992-05-19 US disclosed
US-4493838-A Medicaments containing derivatives of 3-chloro-quinoline PHARMINDUSTRIE (FR) 1985-01-15 US disclosed
US-4405789-A ANTICONVULSANT, ANTIANXIETY PHARMINDUSTRIE (FR) 1983-09-20 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 (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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO SLC6A4 286/4885HTR6 368/4885HTR2C 648/4885

“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.