SCHEMBL25901075

SCHEMBL25901075

CC(C)C1CCN(CCCC(C)N2CCOCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
KEAP1 Q14145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CNR2 P34972 1/20 0.34
TSHR P16473 3/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN1A P35498 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL22337368 0.80 MAOB (0.39) ALDH1A1MEN1KMT2AKEAP1SMN1; SMN2
SCHEMBL26497171 0.78 GNAI3 (0.31) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL23008369 0.77 CYP1A2 (0.37) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL20224766 0.77 GBA1 (0.41) OPRL1SIGMAR1
SCHEMBL26494066 0.76 GNAO1 (0.44) SIGMAR1
SCHEMBL25075207 0.76 GNAI3 (0.38) POLBCYP1A2CYP2D6CNR2TSHR
SCHEMBL24470029 0.75 KDM1A (0.41) ALDH1A1MEN1KMT2AKEAP1SMN1; SMN2
SCHEMBL8362610 0.73 OPRM1 (0.34) OPRM1OPRL1SIGMAR1
SCHEMBL24590304 0.73 KMT2A (0.44) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL10677620 0.73 KMT2A (0.44) ALDH1A1MEN1KMT2APOLBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234959-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-07-27 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-20230234959-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF SIK1, SIK2, SIK3 ALDH1A1 3729/4885MEN1 4493/4885KMT2A 2530/4885

“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.