SCHEMBL430127

SCHEMBL430127

Cc1cc(C(=O)N2CCNCC2)cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.52
PKM P14618 1/20 0.51
HPGD P15428 3/20 0.50
TSHR P16473 4/20 0.47
USP2 O75604 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
CYP2C9 P11712 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44

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
SCHEMBL16026499 0.85 HPGD (0.68) PKMHPGDSIGMAR1GABRDGABRA1
SCHEMBL12959477 0.84 HIF1A (0.46) HIF1AHPGDTSHRUSP2CYP3A4
SCHEMBL427055 0.84 HIF1A (0.64) HIF1AHPGDTSHRUSP2CYP3A4
SCHEMBL15219384 0.83 HIF1A (0.52) HIF1AHPGDTSHRUSP2CYP3A4
SCHEMBL12959478 0.83 HIF1A (0.52) HIF1AHPGDTSHRUSP2CYP3A4
SCHEMBL428206 0.80 HIF1A (0.49) HIF1AHPGDTSHRUSP2CYP3A4
SCHEMBL12959479 0.80 HIF1A (0.49) HIF1AHPGDTSHRUSP2CYP3A4
Pivalate SCHEMBL27686818 0.79 PKM (0.51) HIF1APKMHPGDTSHRUSP2
SCHEMBL14223339 0.78 POLB (0.74) HPGDCYP3A4CYP2C19SIGMAR1LMNA
Hydrochloric Acid SCHEMBL27534265 0.78 L3MBTL1 (0.51) HIF1APKMHPGDSIGMAR1LMNA

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 7 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
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP 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 147/4885PKM 973/4885HPGD 125/4885

“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.