Sugi Predict

Sugi Predict / Compounds / SCHEMBL14828563

SCHEMBL14828563

SCHEMBL14828563

C[C@@H]1C[C@@H](N(Cc2ccccc2)Cc2ccccc2)CC[C@@H]1NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ YTHDC1 Q96MU7 1/20 0.42
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ CPB1 P15086 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ ACKR3 P25106 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ OPRM1 P35372 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
SCHEMBL14828562 1.00 DPP8 (0.44) DPP8DPP7YTHDC1SLC6A2SLC6A4
SCHEMBL14828519 1.00 DPP8 (0.44) DPP8DPP7YTHDC1SLC6A2SLC6A4
SCHEMBL14828520 1.00 DPP8 (0.44) DPP8DPP7YTHDC1SLC6A2SLC6A4
SCHEMBL14828517 1.00 DPP8 (0.44) DPP8DPP7YTHDC1SLC6A2SLC6A4
SCHEMBL14828564 1.00 DPP8 (0.44) DPP8DPP7YTHDC1SLC6A2SLC6A4
SCHEMBL12465635 0.90 KMT2A (0.46) DPP8DPP7CPB1KMT2AMAOA
SCHEMBL1192262 0.77 SLC18A3 (0.44) DPP8DPP7YTHDC1SLC6A2SLC6A4
SCHEMBL12466177 0.77 SLC18A3 (0.44) DPP8DPP7YTHDC1SLC6A2SLC6A4
SCHEMBL12468294 0.77 SLC18A3 (0.44) DPP8DPP7YTHDC1SLC6A2SLC6A4
SCHEMBL17802164 0.77 YTHDC1 (0.48) YTHDC1SLC6A2SLC6A4CCR5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459535-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2015-03-25 — — EP disclosed
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2014-09-25 — — US disclosed
US-8778951-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2014-07-15 — — US disclosed
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 — — US disclosed
US-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-07-04 — — US disclosed
US-8415381-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2013-04-09 — — 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 (3 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-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 DPP8 1268/4885DPP7 1342/4885YTHDC1 4199/4885
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 DPP8 1268/4885DPP7 1342/4885YTHDC1 4199/4885
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 DPP8 2030/4885DPP7 2552/4885YTHDC1 4459/4885

“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.