SCHEMBL4186178

SCHEMBL4186178

CC(C)N1CCN(Cc2cccc(-c3cncc(-c4cc(NC5CC5)nc(-c5ccccn5)c4)c3)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 1/20 0.38
GSK3B P49841 3/20 0.38
DYRK1A Q13627 3/20 0.38
GPR6 P46095 2/20 0.37
ACHE P22303 1/20 0.37
ACVR1 Q04771 1/20 0.37
PDE2A O00408 1/20 0.37
MAPT P10636 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
GBA1 P04062 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3719006 0.92 ACVR1 (0.43) GPR39GSK3BDYRK1AACHEACVR1
SCHEMBL3720297 0.89 GPR39 (0.38) GPR39GSK3BDYRK1AGPR6ACHE
SCHEMBL3720561 0.88 DRD2 (0.37) DYRK1AACHEMAPTDRD2DRD4
SCHEMBL3721576 0.88 DRD2 (0.37) DYRK1APDE2AMAPTDRD2DRD4
SCHEMBL3721695 0.85 LRRK2 (0.41) DYRK1APDE2AMAPTDRD2DRD4
SCHEMBL3715855 0.85 GPR39 (0.43) GPR39GSK3BDYRK1AACHEPDE2A
SCHEMBL3717600 0.85 GPR39 (0.41) GPR39GSK3BDYRK1AGPR6ACHE
SCHEMBL3720795 0.84 DRD2 (0.38) DYRK1APDE2AMAPTDRD2DRD4
SCHEMBL3718443 0.82 ACVR1 (0.41) GSK3BDYRK1AGPR6ACHEACVR1
SCHEMBL3720880 0.81 GPR39 (0.38) GPR39GSK3BDYRK1AGBA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 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 (1 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK GPR39 222/4885GSK3B 3011/4885DYRK1A 4748/4885

“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.