SCHEMBL1467828

SCHEMBL1467828

NC(=O)C1CCCN1CCC[O]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
POLB P06746 2/20 0.39
SPHK1 Q9NYA1 1/20 0.38
SCN3A Q9NY46 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.36
HTR4 Q13639 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
TSHR P16473 1/20 0.35
DPP4 P27487 2/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 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
SCHEMBL16106743 1.00 NR1I2 (0.39) NR1I2POLBSPHK1SCN3AMAOA
SCHEMBL3276055 0.89 POLB (0.40) NR1I2POLBSPHK1SCN3AMAOA
SCHEMBL5216730 0.89 POLB (0.40) NR1I2POLBSPHK1SCN3AMAOA
SCHEMBL16106745 0.86 HTT (0.40) NR1I2POLBSPHK1SCN3AMAOA
SCHEMBL1466682 0.86 HTT (0.40) NR1I2POLBSPHK1SCN3AMAOA
SCHEMBL1466679 0.86 HTT (0.40) NR1I2POLBSPHK1SCN3AMAOA
SCHEMBL15664773 0.84 NR1I2 (0.53) NR1I2POLBSPHK1LMNABCHE
SCHEMBL7278054 0.84 NR1I2 (0.53) NR1I2POLBSPHK1LMNABCHE
SCHEMBL1360593 0.84 CYP1A2 (0.40) NR1I2LMNASMN1; SMN2
SCHEMBL2563563 0.84 LMNA (0.38) POLBSPHK1SCN3AMAOAMAOB

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
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US claimed
US-RE42353-E1 Quinazoline derivatives and pharmaceutical compositions containing them ASTRAZENECA UK LIMITED (GB) 2011-05-10 US disclosed
US-20110071144-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 2011-03-24 US disclosed
US-20050239777-A1 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA PHARMA S.A. (FR) 2005-10-27 US disclosed
US-20040242574-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED 2004-12-02 US disclosed
US-6673803-B2 FOR TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS; ACTIVITY AGAINST EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE ZENECA LIMITED (GB) 2004-01-06 US disclosed
US-20020173646-A1 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED 2002-11-21 US disclosed
EP-0929530-B1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2002-11-20 EP disclosed
US-6414148-B1 PRODUCE ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT IN WARM-BLOODED ANIMALS ZENECA LIMITED (GB) 2002-07-02 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 (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-20040242574-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, FLT1, NR5A1 NR1I2 81/4885POLB 2602/4885SPHK1 3263/4885
US-20020173646-A1 Quinazoline derivatives and pharmaceutical compositions containing them CNKSR1, FLT1, VEGFA NR1I2 119/4885POLB 2629/4885SPHK1 3395/4885
US-20110071144-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NR5A1, NR5A2, CNKSR1 NR1I2 11/4885POLB 3303/4885SPHK1 2298/4885
US-20050239777-A1 Quinazoline derivatives and pharmaceutical compositions containing them NR5A1, NR5A2, CNKSR1 NR1I2 11/4885POLB 3303/4885SPHK1 2298/4885

“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.