SCHEMBL3218429

SCHEMBL3218429

c1ccc(CC2(N3CCCC3)CCC3(CC2)OCCO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
TMEM97 Q5BJF2 1/20 0.37
GAA P10253 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GRIN2D O15399 1/20 0.36

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
SCHEMBL3924844 0.90 POLB (0.39) POLBMEN1KMT2ANPC1MAPK1
SCHEMBL734090 0.87 KMT2A (0.41) POLBMEN1KMT2ANPC1MAPK1
Bromide SCHEMBL10842432 0.79 MAOA (0.44) MEN1KMT2ARAB9ATSHRSIGMAR1
SCHEMBL3216979 0.75 MEN1 (0.41) POLBMEN1KMT2ARAB9ATSHR
SCHEMBL4130743 0.74 MAOA (0.41) ALDH1A1TSHRSIGMAR1MAOAMAOB
SCHEMBL3208971 0.74 OPRM1 (0.49) NPC1TSHRSIGMAR1SLC6A3OPRM1
SCHEMBL2200621 0.73 SIGMAR1 (0.64) POLBALDH1A1L3MBTL1KDM4ESIGMAR1
SCHEMBL2989331 0.73 SIGMAR1 (0.41) TSHRSIGMAR1MAOAMAOBGRIN2D
SCHEMBL4125387 0.73 SIGMAR1 (0.41) TSHRSIGMAR1MAOAMAOBGRIN2D
Hydrochloric Acid SCHEMBL3207485 0.72 OPRM1 (0.50) NPC1TSHRSIGMAR1SLC6A3OPRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678834-B2 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2010-03-16 US disclosed
EP-1406859-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES GRUENENTHAL GMBH (DE) 2008-01-02 EP disclosed
US-20040214822-A1 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2004-10-28 US disclosed
EP-1406859-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003008371-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2003-01-30 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-20040214822-A1 Substituted 4-aminocyclohexanol compounds ADRA2C, OPRD1, OPRK1 POLB 2721/4885MEN1 2907/4885KMT2A 3124/4885

“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.