SCHEMBL427032

SCHEMBL427032

Cc1ccnc(OCCCN2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
MAPK1 P28482 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
HTR2A P28223 1/20 0.54
SCN1A P35498 1/20 0.54
HTR2B P41595 1/20 0.54
KCNH2 Q12809 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
CYP2D6 P10635 2/20 0.53
CYP3A4 P08684 1/20 0.53
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL430014 0.93 POLB (0.53) SIGMAR1HTR2BKCNH2NPC1
SCHEMBL11988200 0.83 CYP2D6 (0.53) SIGMAR1MAPK1HRH3ALDH1A1CYP1A2
SCHEMBL427011 0.80 SMN1; SMN2 (0.56) SIGMAR1KDM4ESMN1; SMN2
SCHEMBL3398936 0.79 SIGMAR1 (0.48) SIGMAR1ALDH1A1HTR2BKCNH2KDM4E
SCHEMBL14426350 0.78 SMN1; SMN2 (0.58) SIGMAR1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL26157145 0.77 SMN1; SMN2 (0.43) SIGMAR1ALDH1A1KCNH2KDM4ESMN1; SMN2
SCHEMBL4124442 0.76 KDM4E (0.74) SIGMAR1MAPK1HRH3ALDH1A1CYP1A2
SCHEMBL460929 0.76 SIGMAR1 (0.46) SIGMAR1ALDH1A1HTR2BKCNH2KDM4E
SCHEMBL427012 0.76 ALDH1A1 (0.58) SIGMAR1ALDH1A1CYP1A2CYP2D6CYP3A4
SCHEMBL171264 0.75 HRH3 (0.79) SIGMAR1MAPK1HRH3ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO SIGMAR1 1841/4885MAPK1 2185/4885HRH3 452/4885

“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.