SCHEMBL16209159

SCHEMBL16209159

O=C(O)NCC1CCN(c2nc(Cl)ncc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.50
CKS1B P61024 9/20 0.42
SKP1 P63208 9/20 0.42
SKP2 Q13309 9/20 0.42
CHRM4 P08173 1/20 0.41
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ADORA2A P29274 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4304306 0.86 ABL1 (0.48) CKS1BSKP1SKP2ABL1BCR
SCHEMBL4307471 0.85 CKS1B (0.41) CKS1BSKP1SKP2CHRM4GAA
SCHEMBL12082500 0.84 CKS1B (0.54) SMN1; SMN2MAPTCKS1BSKP1SKP2
SCHEMBL12082607 0.81 SMN1; SMN2 (0.58) SMN1; SMN2MAPTABL1BCRHCRTR1
SCHEMBL4304296 0.80 ROCK2 (0.44) CKS1BSKP1SKP2
SCHEMBL27087909 0.80 AURKA (0.42) MAPTCKS1BSKP1SKP2CHRM4
SCHEMBL27087916 0.80 AURKA (0.42) MAPTCKS1BSKP1SKP2CHRM4
SCHEMBL4554680 0.77 SMN1; SMN2 (0.53) SMN1; SMN2MAPTABL1BCRHCRTR1
SCHEMBL14812128 0.77 KDM4E (0.44) MAPTCKS1BSKP1SKP2GAA
SCHEMBL27087915 0.77 USP30 (0.40) CKS1BSKP1SKP2

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-3292110-B1 N-PIPERIDIN-4-YL DERIVATIVES MERCK SHARP & DOHME (NL) 2019-08-21 EP disclosed
US-8993757-B2 N-piperidin-4-yl derivatives MERCK SHARP & DOHME B.V. (NL) 2015-03-31 US disclosed
US-20140329822-A1 N-PIPERIDIN-4-YL DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2014-11-06 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-20140329822-A1 N-PIPERIDIN-4-YL DERIVATIVES PGR, CYP19A1, BRCA1 SMN1; SMN2 2841/4885MAPT 4046/4885CKS1B 2254/4885

“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.