SCHEMBL429593

SCHEMBL429593

Cc1ccc2c(c1)N(C1CCNCC1)CC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.43
HTR2B P41595 9/20 0.43
HTR2A P28223 5/20 0.43
GRIA2 P42262 1/20 0.38
TP53 P04637 1/20 0.38
HTR7 P34969 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KDM1A O60341 1/20 0.33
HTR1A P08908 2/20 0.33
HTR3A P46098 2/20 0.33

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
SCHEMBL428109 0.83 CHRM2 (0.40) HTR2CHTR2BHTR2AGRIA2CHRM2
SCHEMBL3126030 0.81 HTR2C (0.54) HTR2CHTR2BHTR2AHTR7TMEM97
SCHEMBL428205 0.77 KDM1A (0.38) HTR2CHTR2BHTR2ATP53HTR7
SCHEMBL10062778 0.73 HTR2C (0.45) HTR2CHTR2BHTR2AGRIA2TP53
SCHEMBL6657476 0.70 MAPK1 (0.52) HTR2CHTR2BHTR2ATP53MEN1
SCHEMBL17881253 0.70 PDK2 (0.38) HTR2CHTR2BHTR2ATP53CHRM2
SCHEMBL5986105 0.70 ALDH1A1 (0.40) MEN1KMT2A
SCHEMBL10062777 0.69 OPRM1 (0.44) HTR2CHTR2BHTR2AGRIA2TP53
SCHEMBL445072 0.68 HTR1D (0.36) KMT2ACHRM2CHRM3HTR1A
SCHEMBL13867987 0.67 DRD2 (0.34) HTR2BHTR2AHTR7TMEM97SIGMAR1

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 HTR2C 783/4885HTR2B 543/4885HTR2A 575/4885

“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.