SCHEMBL428206

SCHEMBL428206

CB(O)N1CCN(C(=O)c2cc(C)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.49
HPGD P15428 2/20 0.47
USP2 O75604 5/20 0.44
CYP3A4 P08684 5/20 0.44
TSHR P16473 4/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 4/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
PHGDH O43175 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.41
KDM1A O60341 1/20 0.41
MEN1 O00255 1/20 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
SCHEMBL427055 0.83 HIF1A (0.64) HIF1AHPGDUSP2CYP3A4TSHR
SCHEMBL15219384 0.80 HIF1A (0.52) HIF1AHPGDUSP2CYP3A4TSHR
SCHEMBL12959478 0.80 HIF1A (0.52) HIF1AHPGDUSP2CYP3A4TSHR
SCHEMBL430127 0.80 HIF1A (0.52) HIF1AHPGDUSP2CYP3A4TSHR
SCHEMBL12959479 0.76 HIF1A (0.49) HIF1AHPGDUSP2CYP3A4TSHR
SCHEMBL12959477 0.73 HIF1A (0.46) HIF1AHPGDUSP2CYP3A4TSHR
SCHEMBL12959483 0.71 RHOC (0.85) POLBRHOCRHOAPHGDH
SCHEMBL17852263 0.69 BLM (0.58) HPGDUSP2TSHRPOLBCYP1A2
SCHEMBL12959499 0.69 RHOA (0.47) HIF1AHPGDCYP3A4LMNARHOC
SCHEMBL12959500 0.69 GRM3 (0.47) HPGDCYP3A4RHOCRHOAKDM1A

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 3 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-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

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 HIF1A 147/4885HPGD 125/4885USP2 3404/4885

“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.