SCHEMBL4168192

SCHEMBL4168192

N[C@H]1CCN(Cc2ccc(-c3cncc(-c4cc(NC5CC5)nc(-c5ccccn5)c4)c3)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
MCHR1 Q99705 1/20 0.40
GPR39 O43194 1/20 0.38
CDK2 P24941 4/20 0.37
CCNA2 P20248 3/20 0.37
CCNE1 P24864 3/20 0.37
CCNE2 O96020 2/20 0.37
CCNA1 P78396 2/20 0.37
CCNT1 O60563 2/20 0.37
CDK5 Q00535 2/20 0.37
DYRK3 O43781 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
CDK9 P50750 1/20 0.37
DYRK1A Q13627 1/20 0.37
CDK5R1 Q15078 1/20 0.37
DYRK2 Q92630 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37

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
SCHEMBL3717886 1.00 HRH3 (0.40) HRH3MCHR1GPR39CDK2CCNA2
SCHEMBL3714748 0.88 TGFBR1 (0.46) HRH3MCHR1GPR39DYRK1AACHE
SCHEMBL4178389 0.87 HDAC1 (0.42) HRH3MCHR1GPR39AKT1AKT2
SCHEMBL3663923 0.87 HDAC1 (0.42) HRH3MCHR1GPR39AKT1AKT2
SCHEMBL3808218 0.86 ABL1 (0.44) HRH3MCHR1GPR39CCNT1ACHE
SCHEMBL4192009 0.84 GPR39 (0.43) GPR39CDK2CCNA2CCNT1CDK5
SCHEMBL3718095 0.84 GPR39 (0.39) HRH3MCHR1GPR39ACHEROCK2
SCHEMBL3719006 0.84 ACVR1 (0.43) HRH3MCHR1GPR39CDK2CCNA2
SCHEMBL3661578 0.82 AKT1 (0.45) MCHR1ROCK2DRD2DRD4AKT1
SCHEMBL3721898 0.81 GPR39 (0.44) HRH3MCHR1GPR39ACHEROCK2

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 HRH3 453/4885MCHR1 1154/4885GPR39 222/4885

“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.