SCHEMBL3859282

SCHEMBL3859282

OC1(Cc2cc(F)ccc2F)CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
SIGMAR1 Q99720 2/20 0.54
OPRL1 P41146 2/20 0.49
CCR3 P51677 1/20 0.48
POLB P06746 2/20 0.48
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BCHE P06276 1/20 0.46
CHRM4 P08173 1/20 0.45
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL10502242 0.90 CCR3 (0.54) ALDH1A1SIGMAR1OPRL1CCR3POLB
Hydrochloric Acid SCHEMBL10502898 0.89 CCR3 (0.53) ALDH1A1SIGMAR1OPRL1CCR3POLB
SCHEMBL4216674 0.88 ALDH1A1 (0.50) ALDH1A1SIGMAR1OPRL1CCR3POLB
SCHEMBL376474 0.87 OPRL1 (0.54) ALDH1A1SIGMAR1OPRL1CCR3POLB
SCHEMBL4222141 0.85 POLB (0.55) ALDH1A1SIGMAR1OPRL1CCR3POLB
Hydrochloric Acid SCHEMBL10502200 0.85 POLB (0.55) ALDH1A1SIGMAR1OPRL1CCR3POLB
SCHEMBL863626 0.84 CCR3 (0.53) ALDH1A1SIGMAR1OPRL1CCR3POLB
SCHEMBL4218172 0.82 CCR3 (0.49) ALDH1A1SIGMAR1OPRL1CCR3POLB
SCHEMBL5399810 0.82 MEN1 (0.57) OPRL1CCR3POLBACHEBACE1
SCHEMBL863256 0.82 DPP4 (0.50) ALDH1A1SIGMAR1OPRL1CCR3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity HOSSAIN NAFIZAL 2009-12-03 US disclosed
US-7524856-B2 Tricyclic spiroderivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2009-04-28 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
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
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-20070099945-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor acitivity ASTRAZENECA AB (SE) 2007-05-03 US disclosed
EP-1699791-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US disclosed
WO-2005061499-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO 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

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-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines REN, TACR1, AGTR1 ALDH1A1 1465/4885SIGMAR1 238/4885OPRL1 355/4885
US-20070099945-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor acitivity ACKR3, CXCR1, CXCR2 ALDH1A1 707/4885SIGMAR1 308/4885OPRL1 66/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 ALDH1A1 1375/4885SIGMAR1 194/4885OPRL1 379/4885
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity CXCR1, CXCR2, CXCR4 ALDH1A1 946/4885SIGMAR1 289/4885OPRL1 122/4885

“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.