SCHEMBL1006167

SCHEMBL1006167

O=C(O)Cn1nc(C(F)(F)F)c2c1CCC2

nearest known ligand 0.94

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.94
TSHR P16473 3/20 0.91
NPSR1 Q6W5P4 1/20 0.91
GAA P10253 1/20 0.72
ALDH1A1 P00352 1/20 0.65
HTT P42858 1/20 0.65
TDP1 Q9NUW8 1/20 0.64
MAPT P10636 5/20 0.60
THRB P10828 1/20 0.60
POLB P06746 1/20 0.60
POLQ O75417 1/20 0.59
TP53 P04637 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL1008435 0.97 LMNA (1.00) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL15708803 0.95 LMNA (1.00) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL14487929 0.85 LMNA (0.79) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL12379943 0.84 LMNA (0.76) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL20371480 0.84 LMNA (1.00) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL14487449 0.82 LMNA (0.66) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL14555832 0.81 LMNA (0.64) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL12361570 0.80 LMNA (0.71) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL1007311 0.80 ALDH1A1 (0.97) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL15708209 0.80 LMNA (0.67) LMNATSHRNPSR1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444499-B Phenylalanine derivative containing 4-quinazolinone and preparation method and application thereof 山东大学 2024-09-06 CN disclosed
CN-116444499-A Phenylalanine derivative containing 4-quinazolinone and preparation method and application thereof 山东大学 2023-07-18 CN disclosed
US-20180369213-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2018-12-27 US disclosed
EP-2888261-B1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX INC (US) 2018-04-18 EP disclosed
US-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2016-07-07 US disclosed
US-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2016-07-07 US disclosed
US-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2016-07-07 US disclosed
US-9181241-B2 Antagonists of chemokine receptors CHEMOCENTRYX, INC. (US) 2015-11-10 US disclosed
US-9181241-B2 Antagonists of chemokine receptors CHEMOCENTRYX, INC. (US) 2015-11-10 US disclosed
US-9181241-B2 Antagonists of chemokine receptors CHEMOCENTRYX, INC. (US) 2015-11-10 US disclosed
EP-2888261-A2 ANTAGONISTS OF CHEMOKINE RECEPTORS ChemoCentryx, Inc. (US) 2015-07-01 EP disclosed
WO-2014035967-A2 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2014-03-06 WO disclosed
US-20140057937-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2014-02-27 US disclosed
US-20140057937-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2014-02-27 US disclosed
US-20140057937-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2014-02-27 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 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 (4 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-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 LMNA 4596/4885TSHR 1260/4885NPSR1 276/4885
US-20180369213-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 LMNA 4596/4885TSHR 1260/4885NPSR1 276/4885
US-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 LMNA 4015/4885TSHR 134/4885NPSR1 95/4885
US-20140057937-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 LMNA 4596/4885TSHR 1260/4885NPSR1 276/4885

“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.