SCHEMBL19506503

SCHEMBL19506503

O=C(OCc1ccccc1)N1CCC2(O)CCC12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP2C19 P33261 1/20 0.50
ACE2 Q9BYF1 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PREP P48147 3/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
ELANE P08246 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL1643460 0.78 HTR2C (0.51) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL18089695 0.78 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19ACE2
SCHEMBL2390987 0.77 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19ACE2
SCHEMBL26058374 0.77 HTR2C (0.47) SMN1; SMN2NPC1RAB9AACE2PSEN1
SCHEMBL23089542 0.77 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19ACE2
SCHEMBL28996044 0.76 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2388729 0.76 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19ACE2
SCHEMBL25698141 0.76 PSEN1 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19ACE2
SCHEMBL29997810 0.76 PSEN1 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19ACE2
SCHEMBL31566928 0.76 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 1 patent. 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

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 SMN1; SMN2 510/4885NPC1 2234/4885RAB9A 2617/4885

“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.