SCHEMBL16828752

SCHEMBL16828752

CCOC(=O)c1cnn(-c2cnc(O)c(C(N)=O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL19499289 0.88 RAB9A (0.41) NPC1RAB9ACYP2C19CYP1A2CYP2D6
SCHEMBL26132274 0.77 CYP2C19 (0.47) NPC1RAB9ACYP2C19CYP1A2CYP2D6
SCHEMBL31265618 0.77 CYP2C19 (0.47) NPC1RAB9ACYP2C19CYP1A2CYP2D6
SCHEMBL19499282 0.74 KCNH2 (0.44) ALDH1A1TSHRSMN1; SMN2
SCHEMBL19499278 0.74 NTRK1 (0.36) NPC1RAB9AALDH1A1TSHRSMN1; SMN2
SCHEMBL1647019 0.74 ALDH1A1 (0.47) NPC1RAB9ACYP2D6ALDH1A1TSHR
SCHEMBL4447424 0.74 LMNA (0.58) NPC1RAB9ACYP1A2NPSR1ALDH1A1
SCHEMBL31420340 0.74 HPGDS (0.55) NPC1RAB9ACYP2C19NPSR1ALDH1A1
SCHEMBL20300504 0.73 RAB9A (0.57) NPC1RAB9ACYP1A2NPSR1ALDH1A1
SCHEMBL2411096 0.73 HPGDS (0.62) NPC1RAB9ANPSR1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 US disclosed
EP-3083602-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS Pfizer Limited (GB) 2016-10-26 EP disclosed
WO-2015092610-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2015-06-25 WO disclosed
WO-2015092610-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2015-06-25 WO 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-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS TNNI3, MUSK, MYLK2 NPC1 2234/4885RAB9A 2617/4885CYP2C19 3739/4885

“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.