SCHEMBL10310258

SCHEMBL10310258

N=C(N)NCCc1ccccc1Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.57
SLC6A4 P31645 2/20 0.44
RIPK1 Q13546 1/20 0.44
SLC6A2 P23975 1/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 1/20 0.43
CTNNB1 P35222 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK8 P45983 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.40
MAOA P21397 1/20 0.40
ADRA2C P18825 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HPGD P15428 1/20 0.39
HTR2A P28223 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL10310315 0.81 MTNR1A (0.65) MTNR1AMTNR1BALDH1A1HPGDSMN1; SMN2
SCHEMBL10310252 0.78 PLAAT3 (0.57) FFAR1
Hydrochloric Acid SCHEMBL29074410 0.77 PLAAT3 (0.56) FFAR1
SCHEMBL17040296 0.77 CYP2D6 (0.52) HRH1SLC6A4RIPK1SLC6A2MTNR1A
SCHEMBL8493643 0.77 RECQL (0.55) HRH1MTNR1AMTNR1B
SCHEMBL24018828 0.76 HRH1 (0.61) HRH1SLC6A4RIPK1SLC6A2L3MBTL1
SCHEMBL3926227 0.74 MPO (0.55) SLC6A4MTNR1A
SCHEMBL17037439 0.73 MTNR1A (0.48) HRH1SLC6A4RIPK1SLC6A2MTNR1A
SCHEMBL1067253 0.73 HRH1 (0.67) HRH1SLC6A4RIPK1SLC6A2CTNNB1
SCHEMBL1569927 0.73 HRH1 (1.00) HRH1SLC6A4RIPK1SLC6A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 EP disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 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 (3 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-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 HRH1 2159/4885SLC6A4 4854/4885RIPK1 197/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 HRH1 2159/4885SLC6A4 4854/4885RIPK1 197/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 HRH1 2159/4885SLC6A4 4854/4885RIPK1 197/4885

“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.