SCHEMBL13360583

SCHEMBL13360583

CNC1CCN(c2ccc(C(N)=O)cn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.64
JAK2 O60674 1/20 0.57
JAK1 P23458 1/20 0.57
JAK3 P52333 1/20 0.57
KCNH2 Q12809 1/20 0.51
MCHR1 Q99705 1/20 0.51
USP30 Q70CQ3 2/20 0.50
KDM1A O60341 1/20 0.50
SMO Q99835 1/20 0.47
UBE2T Q9NPD8 1/20 0.47
NNMT P40261 1/20 0.47

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
SCHEMBL5223723 0.85 HRH3 (0.65) HRH3JAK2JAK1JAK3USP30
SCHEMBL30754007 0.83 HRH3 (0.58) HRH3JAK2JAK1JAK3KDM1A
SCHEMBL14843687 0.83 HRH3 (0.58) HRH3JAK2JAK1JAK3KDM1A
SCHEMBL6140027 0.83 HRH3 (0.58) HRH3JAK2JAK1JAK3KDM1A
Hydrochloric Acid SCHEMBL5009902 0.82 HRH3 (0.57) HRH3JAK2JAK1JAK3KDM1A
Hydrochloric Acid SCHEMBL5221468 0.82 HRH3 (0.57) HRH3JAK2JAK1JAK3KDM1A
SCHEMBL30754057 0.81 HRH3 (0.64) HRH3JAK2JAK1JAK3KDM1A
SCHEMBL6139686 0.81 HRH3 (0.60) HRH3JAK2JAK1JAK3USP30
SCHEMBL1978278 0.81 HRH3 (0.56) HRH3JAK2JAK1JAK3USP30
Hydrochloric Acid SCHEMBL27796614 0.81 HRH3 (0.43) HRH3JAK2JAK1JAK3KDM1A

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-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 HRH3 1670/4885JAK2 1804/4885JAK1 4080/4885

“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.