SCHEMBL4045773

SCHEMBL4045773

Clc1ccc2c(c1)C1(CCNCC1)OC2

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 1/20 0.44
AVPR1A P37288 5/20 0.41
OXTR P30559 1/20 0.40
PNMT P11086 1/20 0.39
DRD2 P14416 1/20 0.39
DGAT1 O75907 1/20 0.36
KDM1A O60341 2/20 0.36
REN P00797 1/20 0.35
CYP3A4 P08684 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL1275908 0.89 HTR2C (0.47) HTR2CHTR2AHTR2BAVPR1AOXTR
SCHEMBL25359962 0.84 HTR2C (0.46) HTR2CHTR2AHTR2BPNMTDRD2
SCHEMBL1587932 0.80 DPP4 (0.43) HTR2CAVPR1AKDM1A
SCHEMBL1588901 0.80 AVPR1A (0.38) AVPR1AKDM1A
SCHEMBL18373201 0.80 HTR2C (0.40) HTR2CHTR2AHTR2BPNMTKDM1A
Hydrochloric Acid SCHEMBL3561180 0.79 DPP4 (0.42) HTR2CAVPR1AKDM1A
SCHEMBL11834433 0.79 AVPR1A (0.45) AVPR1AOXTR
SCHEMBL31415656 0.77 SIGMAR1 (0.53) AVPR1A
SCHEMBL8871048 0.77 SIGMAR1 (0.53) AVPR1A
SCHEMBL86971 0.77 SIGMAR1 (0.53) AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US claimed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US claimed
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1531816-B1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2009-01-21 EP disclosed
EP-1531816-B1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2009-01-21 EP disclosed
EP-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 EP disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 US disclosed
WO-2007006688-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO disclosed
US-20060173027-A1 Spirocvclic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2006-08-03 US disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US disclosed
EP-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
WO-2001022919-A2 SPIRO[BICYCLIC -AZACYCLOALKYL AND -CYCLOALKYL] DERIVATIVES AND USES THEREOF MERCK & CO., INC. (US) 2001-04-05 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 (5 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT HTR2C 672/4885HTR2A 618/4885HTR2B 1659/4885
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines REN, TACR1, AGTR1 HTR2C 1851/4885HTR2A 1174/4885HTR2B 1279/4885
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists AVPR1A, AVPR2, AVPR1B HTR2C 55/4885HTR2A 19/4885HTR2B 146/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 HTR2C 1811/4885HTR2A 1145/4885HTR2B 1274/4885
US-20060173027-A1 Spirocvclic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, CRHR1 HTR2C 50/4885HTR2A 91/4885HTR2B 133/4885

“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.