SCHEMBL16178752

SCHEMBL16178752

CC1CN(C(=O)NCc2ccc(C#N)cc2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 6/20 0.48
▸ EPHX2 P34913 2/20 0.47
▸ CHRNA7 P36544 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ TPSAB1 Q15661 1/20 0.41
▸ TPSD1 Q9BZJ3 1/20 0.41
▸ TPSG1 Q9NRR2 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41

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
SCHEMBL16178785 0.86 EPHX2 (0.62) EPHX2CHRNA7MEN1KMT2ACYP3A4
SCHEMBL1668842 0.84 KIT (0.49) EPHX2CHRNA7MEN1KMT2AKIT
SCHEMBL14941502 0.83 EPHX2 (0.47) MLNREPHX2MEN1KMT2AKDM4E
SCHEMBL16178769 0.78 NPC1 (0.57) KMT2AKDM4EALDH1A1
SCHEMBL16178753 0.77 CHRM3 (0.55) CHRM3ALDH1A1
SCHEMBL1669460 0.77 KDM4E (0.55) EPHX2MEN1KMT2AKITKDM4E
SCHEMBL12686296 0.75 RAB9A (0.55) MEN1KMT2AALDH1A1
SCHEMBL16178739 0.75 KMT2A (0.44) MLNRMEN1KMT2AKDM4ECYP3A4
SCHEMBL16178801 0.74 RYR2 (0.52) EPHX2CHRM2CHRM1CHRM3
SCHEMBL1668815 0.72 SMN1; SMN2 (0.52) EPHX2MEN1KMT2AKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 — — US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 — — 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-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 MLNR 3499/4885EPHX2 3190/4885CHRNA7 4229/4885

“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.

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