SCHEMBL567111

SCHEMBL567111

Oc1ccc(C2CCCNC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.53
ESR2 Q92731 5/20 0.52
CYP2D6 P10635 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
ESR1 P03372 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL28302961 1.00 HTR3A (0.53) HTR3AESR2CYP2D6SLC6A2SLC6A4
Bromide SCHEMBL567414 0.98 HTR3A (0.52) HTR3AESR2CYP2D6SLC6A2SLC6A4
SCHEMBL20805968 0.90 HTR3A (0.66) HTR3AESR2
SCHEMBL25936803 0.86 ESR2 (0.55) ESR2CYP2D6ESR1CYP3A4CYP2C9
SCHEMBL23119873 0.81 ESR2 (0.52) HTR3AESR2ESR1CYP3A4CYP2C9
SCHEMBL1711100 0.80 HTR3A (0.53) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL25305280 0.80 HTR3A (0.53) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL13505492 0.80 HTR3A (0.53) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL16446546 0.80 HTR3A (0.81) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL24127465 0.80 HTR3A (0.53) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810047-A (R) synthetic method of the chiral intermediate of -3- Phenylpiperidine or/and (S) -3- Phenylpiperidine and Ni Lapani 上海博邦医药科技有限公司 2019-05-28 CN claimed
US-10633362-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2020-04-28 US disclosed
CN-109810047-A (R) synthetic method of the chiral intermediate of -3- Phenylpiperidine or/and (S) -3- Phenylpiperidine and Ni Lapani 上海博邦医药科技有限公司 2019-05-28 CN disclosed
US-20190119243-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS G1 THERAPEUTICS, INC. (US) 2019-04-25 US disclosed
US-10208011-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2019-02-19 US disclosed
US-9850206-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-12-26 US disclosed
US-9850206-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-12-26 US disclosed
US-9850206-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-12-26 US disclosed
EP-2925721-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-06-07 EP disclosed
EP-2925721-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-06-07 EP disclosed
CN-100349906-C Phosphonoxyquinazoline derivatives and pharmaceutical use thereof ASTRAZENECA AB (SE) 2007-11-21 CN disclosed
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
CN-1764668-A Phosphonoxyquinazoline derivatives and pharmaceutical use thereof ASTRAZENECA AB (SE) 2006-04-26 CN disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
CN-1478092-A Benzoxazinone derivatives, their preparation and use ʷ 2004-02-25 CN disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 WO disclosed
CN-1029960-C Process for preparing chromanol derivatives having neuroprotective effect PFIZER (US) 1995-10-11 CN disclosed
CN-1053923-A 3-piperidino-(1-position only)-4-hydroxy benzo dichloro-pyran derivative with neuroprotective PFIZER (US) 1991-08-21 CN 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 HTR3A 652/4885ESR2 1121/4885CYP2D6 9/4885
US-10208011-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 HTR3A 611/4885ESR2 3/4885CYP2D6 235/4885
US-10633362-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 HTR3A 611/4885ESR2 3/4885CYP2D6 235/4885
US-20190119243-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS ESR1, GPER1, ESR2 HTR3A 611/4885ESR2 3/4885CYP2D6 235/4885

“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.