SCHEMBL427059

SCHEMBL427059

Cc1ccc2c(c1)N(C1CCN(C)CC1)CC2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.55
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR1F P30939 1/20 0.51
ALDH1A1 P00352 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
GRIA2 P42262 1/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41

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
SCHEMBL429643 0.83 HTR1D (0.50) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL23264399 0.79 ALDH1A1 (0.51) SCDALDH1A1GRIA2NOS1
SCHEMBL13537238 0.79 HTR1F (0.62) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL2675996 0.78 OPRM1 (0.62) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL14208735 0.78 HTR1D (0.46) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL429286 0.77 HTR1A (0.48) HTR1AHTR1DHTR1BHTR1FALDH1A1
SCHEMBL5255129 0.77 TP53 (0.53)
SCHEMBL428109 0.76 CHRM2 (0.40) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL2625792 0.73 ALDH1A1 (0.50) ALDH1A1
SCHEMBL2675961 0.73 NOS1 (0.48) SCDHTR1AHTR1DHTR1BHTR1F

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 SCD 980/4885HTR1A 691/4885HTR1D 1002/4885

“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.