SCHEMBL5375637

SCHEMBL5375637

c1cnc2cc(OC3CCNCC3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.57
ROCK1 Q13464 2/20 0.53
PRKCZ Q05513 4/20 0.49
HRH1 P35367 2/20 0.49
PDE10A Q9Y233 2/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
CYP3A4 P08684 1/20 0.47
ROCK2 O75116 1/20 0.45
PRKACA P17612 1/20 0.45
PRKCD Q05655 1/20 0.45
PRKG1 Q13976 1/20 0.45
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
CDC42BPA Q5VT25 1/20 0.45
Q6ZSR9 Q6ZSR9 1/20 0.45
BMP2K Q9NSY1 1/20 0.45
CDC42BPB Q9Y5S2 1/20 0.45
SLC6A2 P23975 2/20 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
SCHEMBL4674257 0.89 IKBKB (0.57) IKBKBROCK1PRKCZHRH1PDE10A
Hydrochloric Acid SCHEMBL18318430 0.88 IKBKB (0.48) IKBKBROCK1PRKCZHRH1HTR6
Hydrochloric Acid SCHEMBL23360382 0.87 IKBKB (0.56) IKBKBROCK1PRKCZHRH1PDE10A
SCHEMBL11063126 0.80 IKBKB (0.68) IKBKBROCK1PRKCZHRH1ROCK2
Hydrochloric Acid SCHEMBL7452746 0.79 IKBKB (0.66) IKBKBROCK1PRKCZHRH1ROCK2
SCHEMBL19852514 0.78 PDE10A (0.53) ROCK1HRH1PDE10APDE3BPDE3A
SCHEMBL5020201 0.77 ALDH1A1 (0.51) IKBKBROCK1PDE10APDE3BPDE3A
SCHEMBL12505400 0.77 IRAK4 (0.49) IKBKBROCK1HRH1SLC6A2SLC6A3
SCHEMBL357765 0.77 IRAK4 (0.41) IKBKBROCK1HRH1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL12505351 0.76 IRAK4 (0.48) IKBKBROCK1HRH1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
US-7307090-B2 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-12-11 US disclosed
US-7265227-B2 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-09-04 US disclosed
US-20070179297-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-08-02 US disclosed
US-7238811-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-07-03 US disclosed
US-7179922-B2 4-Phenyloxypiperidionopiperidine compounds as antiinflammatory agents; autoimmune diseases; rheumatic diseases; cardiovascular disorders ASTRAZENECA AB (SE) 2007-02-20 US disclosed
EP-1404667-B1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-03-08 EP disclosed
EP-1604982-A1 INTERMEDIATES FOR THE PREPARATION OF PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2005-12-14 EP disclosed
US-20050171092-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
US-6903115-B2 Bipiperidine compounds ASTRAZENECA AB (SE) 2005-06-07 US disclosed
EP-1493743-A1 Substituted bipiperidine intermediates and derivatives thereof AstraZeneca AB (SE) 2005-01-05 EP disclosed
US-6525070-B2 For therapy of chemokine (such as CCR3) or H1 mediated disease state ASTRAZENECA AB (SE) 2003-02-25 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 (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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C IKBKB 2529/4885ROCK1 2401/4885PRKCZ 3152/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 IKBKB 782/4885ROCK1 1642/4885PRKCZ 4468/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C IKBKB 2529/4885ROCK1 2401/4885PRKCZ 3152/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 IKBKB 782/4885ROCK1 1642/4885PRKCZ 4468/4885

“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.