SCHEMBL1921934

SCHEMBL1921934

CC1CN(c2ccc(C(=O)O)cc2)CCN1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
KDM4E B2RXH2 2/20 0.47
CHEK1 O14757 2/20 0.47
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ADRA2A P08913 8/20 0.42
ADRA2C P18825 8/20 0.42
ADRA2B P18089 7/20 0.42
HSD11B1 P28845 1/20 0.42
CASR P41180 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 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
SCHEMBL14598813 0.88 MAPT (0.50) USP2KDM4EHRH3ALDH1A1MEN1
SCHEMBL4410499 0.84 ALDH1A1 (0.54) ADRA2AADRA2CADRA2BALDH1A1POLB
SCHEMBL65016 0.84 ALDH1A1 (0.54) ADRA2AADRA2CADRA2BALDH1A1POLB
SCHEMBL4409961 0.84 ALDH1A1 (0.54) ADRA2AADRA2CADRA2BALDH1A1POLB
SCHEMBL4432207 0.82 USP2 (0.58) USP2KDM4ECHEK1HRH3CASR
SCHEMBL4440389 0.82 USP2 (0.58) USP2KDM4ECHEK1HRH3CASR
SCHEMBL64983 0.80 HTT (0.50) ESR1ESR2ALDH1A1MEN1POLB
SCHEMBL17289850 0.80 USP2 (0.50) USP2KDM4ECHEK1HRH3HSD11B1
SCHEMBL12662987 0.80 ESR1 (0.52) ESR1ESR2ADRA2AADRA2CADRA2B
SCHEMBL3567530 0.80 ESR1 (0.52) ESR1ESR2ADRA2AADRA2CADRA2B

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
EP-2328872-A1 PYRAZOLE COMPOUNDS 436 AstraZeneca AB (SE) 2011-06-08 EP disclosed
US-20090318468-A1 PYRAZOLE COMPOUNDS 436 ASTRAZENECA AB (SE) 2009-12-24 US disclosed
WO-2009153592-A1 PYRAZOLE COMPOUNDS 436 ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2007099166-A1 PYRAZOLO-PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-09-07 WO 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-20090318468-A1 PYRAZOLE COMPOUNDS 436 CYP3A43, CYP3A7, CYP3A4 USP2 4389/4885KDM4E 4254/4885CHEK1 1782/4885

“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.