SCHEMBL250300

SCHEMBL250300

CC1(C)CCN(c2ccc(CNC(=O)O)cc2Br)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 3/20 0.38
METAP2 P50579 1/20 0.37
KMT2A Q03164 1/20 0.37
RET P07949 2/20 0.37
USP28 Q96RU2 1/20 0.36
USP25 Q9UHP3 1/20 0.36
KCNQ2 O43526 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL619410 0.85 FPR3 (0.43)
SCHEMBL251473 0.84 FFAR4 (0.43) MAPTLMNAKMT2ATP53
SCHEMBL249626 0.79 KMT2A (0.47) MAPTLMNAKMT2AKCNQ2TP53
SCHEMBL27973304 0.71 CYP1A2 (0.46) KMT2ATP53
SCHEMBL10278543 0.70 NSD2 (0.42) MAPTLMNAKMT2ARET
SCHEMBL1936344 0.69 TRPV1 (0.54) MAPTLMNAKMT2AKCNQ2TRPV1
SCHEMBL25189609 0.69 KMT2A (0.51) MAPTPOLBKMT2A
SCHEMBL25193404 0.68 ACP1 (0.36) MAPTLMNAKMT2ATRPV1
SCHEMBL52399 0.68 MMP13 (0.44)
SCHEMBL2455269 0.67 ACHE (0.66) MAPTLMNAKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 MAPT 4262/4885POLB 3509/4885LMNA 4429/4885

“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.