SCHEMBL4404307

SCHEMBL4404307

CCC(=O)N1CC(c2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
RORC P51449 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
TACR1 P25103 1/20 0.41
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA7 P36544 1/20 0.40
SLC6A2 P23975 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL4402416 0.85 LIPE (0.50) MEN1KMT2ACNR2CNR1HPGD
SCHEMBL4402412 0.84 RORC (0.43) ACACBSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL4402400 0.82 ACACB (0.48) ACACBSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL16994760 0.82 ALDH1A1 (0.46) SMN1; SMN2HTTMEN1ALDH1A1KMT2A
SCHEMBL10265353 0.81 NPC1 (0.48) SMN1; SMN2KMT2ACHRNB2CHRNA3CHRNA4
SCHEMBL1546844 0.81 CHRNB2 (0.43) MEN1ALDH1A1KMT2ACHRNB2CHRNA3
SCHEMBL4402762 0.78 SLC6A2 (0.49) ACACBSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL4406603 0.78 SMN1; SMN2 (0.50) ACACBSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL4409348 0.78 MEN1 (0.50) ACACBSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL21381667 0.77 RORC (0.53) SMN1; SMN2HTTRORCNPC1MAPT

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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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 (2 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK ACACB 2068/4885SMN1; SMN2 3820/4885HTT 1328/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK ACACB 2068/4885SMN1; SMN2 3820/4885HTT 1328/4885

“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.