SCHEMBL3710481

SCHEMBL3710481

CCC1CCCCN1N[C]=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL8790346 0.76 KMT2A (0.42) KMT2AALDH1A1SMN1; SMN2KCNH2MAPT
SCHEMBL1851130 0.75 GAA (0.34) KMT2AALDH1A1PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL8792432 0.75 KMT2A (0.41) KMT2AALDH1A1SMN1; SMN2KCNH2MAPT
SCHEMBL14697288 0.74
SCHEMBL1647204 0.71 PSEN1 (0.39) KMT2AALDH1A1SMN1; SMN2KCNH2MAPT
SCHEMBL27648105 0.71 PDK1 (0.31)
SCHEMBL4158145 0.71 KMT2A (0.38) KMT2AALDH1A1SMN1; SMN2MAPTPSEN1
SCHEMBL2532934 0.70
SCHEMBL7354829 0.69 KMT2A (0.47) KMT2AALDH1A1SMN1; SMN2KCNH2MAPT
SCHEMBL6506116 0.68

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
US-8765676-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO PHARMA A/S (DK) 2014-07-01 US disclosed
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-17 US disclosed
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 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-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF CASR, SARAF, ORAI1 KMT2A 4730/4885ALDH1A1 3353/4885SMN1; SMN2 3907/4885

“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.