SCHEMBL15053310

SCHEMBL15053310

[2H]C([2H])(c1c[nH]c2ncccc12)N1CCc2c(NC(=O)Nc3ccc(Cl)cc3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
STING1 Q86WV6 1/20 0.42
DRD4 P21917 8/20 0.42
DRD3 P35462 7/20 0.42
DRD2 P14416 5/20 0.42
CACNA1F O60840 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2B P18089 1/20 0.42

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
SCHEMBL15053056 0.92 MAPT (0.41) MAPTSMN1; SMN2DRD4DRD3DRD2
SCHEMBL15053233 0.92 KMT2A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2ALOX15
SCHEMBL15053550 0.92 RAB9A (0.42) RAB9AHTTSTING1HTR1AHTR2A
SCHEMBL15053823 0.92 BRAF (0.46) RAB9ANPC1SMN1; SMN2STING1CYP1A2
SCHEMBL15053079 0.92 DRD2 (0.42) RAB9ALMNANPC1MAPTSTING1
SCHEMBL3709385 0.92 DRD4 (0.47) RAB9ALMNANPC1ALDH1A1MAPT
SCHEMBL15053500 0.90 BRAF (0.49) STING1HTR2AHTR7HTR6BRAF
SCHEMBL15053397 0.90 HTT (0.42) RAB9ALMNANPC1HTTSMN1; SMN2
SCHEMBL15052475 0.90 HTR1A (0.40) LMNADRD4DRD3DRD2CACNA1F
SCHEMBL15053860 0.90 SMN1; SMN2 (0.46) RAB9ANPC1MAPTSMN1; SMN2DRD4

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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US claimed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 RAB9A 2322/4885LMNA 2436/4885NPC1 3123/4885

“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.