SCHEMBL13438985

SCHEMBL13438985

N[C@H]1CC[C@H](CNc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.44
PLK1 P53350 1/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
VCP P55072 4/20 0.40
KDM1A O60341 1/20 0.40
TRIM58 Q8NG06 1/20 0.40
MERTK Q12866 2/20 0.39
FFAR1 O14842 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL13438690 1.00 SMYD3 (0.44) SMYD3PLK1CARM1PRMT6FNTA
SCHEMBL11934815 1.00 SMYD3 (0.44) SMYD3PLK1CARM1PRMT6FNTA
SCHEMBL11935284 1.00 SMYD3 (0.44) SMYD3PLK1CARM1PRMT6FNTA
SCHEMBL1846502 0.90 CARM1 (0.50) CARM1PRMT6ACHEBACE1KDM1A
SCHEMBL543334 0.90 CARM1 (0.50) CARM1PRMT6ACHEBACE1KDM1A
SCHEMBL11934776 0.87 CARM1 (0.46) PLK1CARM1PRMT6ACHEBACE1
SCHEMBL13438662 0.87 CARM1 (0.46) PLK1CARM1PRMT6ACHEBACE1
SCHEMBL11934739 0.83 MAPT (0.48) CARM1PRMT6FNTAFNTBACHE
SCHEMBL13438624 0.83 MAPT (0.48) CARM1PRMT6FNTAFNTBACHE
SCHEMBL13438689 0.81 EGLN2 (0.49) KDM1AMERTK

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
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R SMYD3 1453/4885PLK1 4198/4885CARM1 1637/4885

“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.