SCHEMBL6325164

SCHEMBL6325164

Cc1cc(C)c2c(n1)NCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 1.00
IGF1R P08069 1/20 0.43
CHRM3 P20309 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
NUDT1 P36639 4/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 3/20 0.33
HSD17B10 Q99714 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 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
SCHEMBL18369760 0.90 UHRF1 (0.82) UHRF1IGF1RNOS3NOS1NOS2
SCHEMBL8067184 0.82 UHRF1 (0.70) UHRF1IGF1RCHRM3PDE4APDE4B
SCHEMBL13024495 0.79 UHRF1 (0.65) UHRF1IGF1RCHRM3PDE4APDE4B
SCHEMBL18137103 0.79 UHRF1 (0.65) UHRF1IGF1RCHRM3PDE4APDE4B
SCHEMBL22807265 0.79 UHRF1 (0.64) UHRF1IGF1RCHRM3PDE4APDE4B
SCHEMBL6219506 0.75 UHRF1 (0.59) UHRF1IGF1RCHRM3PDE4APDE4B
SCHEMBL20416979 0.72 UHRF1 (0.56) UHRF1IGF1RNUDT1NOS3NOS1
SCHEMBL31600787 0.72 UHRF1 (0.56) UHRF1IGF1RKDM4EALDH1A1GAA
SCHEMBL20381832 0.71 UHRF1 (0.55) UHRF1IGF1RCHRM3PDE4APDE4B
SCHEMBL17041865 0.71 UHRF1 (0.55) UHRF1IGF1RNUDT1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308637-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-06-04 US disclosed
US-10308637-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-06-04 US disclosed
US-20190002437-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2019-01-03 US disclosed
US-20190002437-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2019-01-03 US disclosed
US-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 US disclosed
US-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 US disclosed
US-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 US disclosed
WO-2017001924-A1 THERAPEUTIC INHIBITORY COMPOUDS LIFESCI PHARMACEUTICALS, INC. (BB) 2017-01-05 WO disclosed
US-20050004200-A1 Pyrazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US disclosed
WO-2004058761-A1 PYRAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 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 (5 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-20050004200-A1 Pyrazole compounds as integrin receptor antagonists derivatives ITGA5, ITGB3, ITGB5 UHRF1 4856/4885IGF1R 870/4885CHRM3 794/4885
US-10308637-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 UHRF1 3029/4885IGF1R 4384/4885CHRM3 3397/4885
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 UHRF1 3029/4885IGF1R 4384/4885CHRM3 3397/4885
US-10023557-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 UHRF1 3029/4885IGF1R 4384/4885CHRM3 3397/4885
US-20190002437-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 UHRF1 3029/4885IGF1R 4384/4885CHRM3 3397/4885

“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.