Sugi Predict

Sugi Predict / Compounds / SCHEMBL2270899

SCHEMBL2270899

SCHEMBL2270899

N#Cc1ccc2[nH]cc(C3CCNCC3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 13/20 0.67
▸ GABRP O00591 1/20 0.64
▸ GABRD O14764 1/20 0.64
▸ GABRA1 P14867 1/20 0.64
▸ GABRB1 P18505 1/20 0.64
▸ GABRG2 P18507 1/20 0.64
▸ GABRB3 P28472 1/20 0.64
▸ GABRA5 P31644 1/20 0.64
▸ GABRA3 P34903 1/20 0.64
▸ GABRA2 P47869 1/20 0.64
▸ GABRB2 P47870 1/20 0.64
▸ GABRA4 P48169 1/20 0.64
▸ GABRE P78334 1/20 0.64
▸ GABRA6 Q16445 1/20 0.64
▸ GABRG1 Q8N1C3 1/20 0.64
▸ GABRG3 Q99928 1/20 0.64
▸ GABRQ Q9UN88 1/20 0.64
▸ HTR1A P08908 1/20 0.63
▸ DRD1 P21728 1/20 0.63
▸ SLC6A2 P23975 1/20 0.63

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
SCHEMBL8304104 0.92 SLC6A4 (0.64) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL22439633 0.88 SLC6A4 (0.67) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL8298760 0.88 HTR2C (0.59) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL4674563 0.86 SLC6A4 (0.64) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL5792377 0.85 SLC6A4 (0.63) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL7484043 0.83 SLC6A4 (0.65) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL7479378 0.83 SLC6A4 (0.65) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL9093624 0.83 HTR1B (0.66) SLC6A4GABRPGABRDGABRA1GABRB1
Ethylene SCHEMBL7484426 0.82 SLC6A4 (0.60) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL8103895 0.81 SLC6A4 (0.69) SLC6A4HTR1ADRD1SLC6A2HTR1B

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 — — US disclosed
CN-101952286-A Bicyclic derivatives for use in the treatment of androgen receptor associated conditions ASTRAZENECA AB 2011-01-19 — — CN disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 — — EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 — — US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 — — US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 — — US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 — — WO disclosed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 — — EP disclosed
EP-1598068-A1 Antipsychotic heterocycle compounds Bristol-Myers Squibb Company (US) 2005-11-23 — — EP disclosed
EP-1242072-A4 ANTIPSYCHOTIC HETEROCYCLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2004-02-04 — — EP disclosed
WO-1998038189-A1 OXAZOLIDINES AS 5-HT2A-ANTAGONISTS MERCK PATENT GMBH (DE) 1998-09-03 — — WO disclosed
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 — — WO disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 — — EP disclosed
US-5693655-A 3-indolylpiperidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-02 — — US disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 — — WO disclosed
US-5670511-A Indolepiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-09-23 — — US disclosed
CN-1133840-A Indolepiperidine derivatives MERCK PATENT GMBH (DE) 1996-10-23 — — CN disclosed
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 — — EP disclosed
CN-1114651-A 3-indolylpiperidine MERCK PATENT GMBH (DE) 1996-01-10 — — CN disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 — — 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 (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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A SLC6A4 60/4885GABRP 445/4885GABRD 598/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 SLC6A4 3516/4885GABRP 592/4885GABRD 331/4885

“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.