SCHEMBL3550104

SCHEMBL3550104

C[C@@H](COCc1ccccc1)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.59
BCHE P06276 1/20 0.54
TACR1 P25103 3/20 0.50
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL2483554 1.00 SIGMAR1 (0.59) SIGMAR1BCHETACR1TSHRALDH1A1
SCHEMBL2715155 0.89 BCHE (0.56) SIGMAR1BCHEALDH1A1CA1CA2
SCHEMBL9625673 0.86 SIGMAR1 (0.59) SIGMAR1BCHETACR1TSHRCA1
SCHEMBL21444695 0.81 TAAR1 (0.57) SIGMAR1TACR1TSHRCA1CA2
SCHEMBL25666197 0.81 TAAR1 (0.57) SIGMAR1TACR1TSHRCA1CA2
SCHEMBL28751212 0.81 CTSS (0.47) SIGMAR1TACR1TSHRCYP2D6CA1
SCHEMBL13995917 0.80 TACR1 (0.46) SIGMAR1BCHETACR1TSHRCA1
SCHEMBL3559030 0.80 TSHR (0.50) SIGMAR1TACR1TSHRCA1CA2
SCHEMBL27526858 0.80 MAOA (0.58) SIGMAR1TACR1TSHRCA1CA2
SCHEMBL1006250 0.79 SIGMAR1 (0.51) SIGMAR1BCHEALDH1A1CYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671068-B2 N-(alkoxyalkyl) carbamoyl-substituted 6-phenyl-benzonaphthyridine derivatives and their use as PDE ¾ inhibitors NYCOMED GMBH (DE) 2010-03-02 US disclosed
US-20070208051-A1 Novel N-(Alkoxyalkyl) Carbamoyl-Substituted 6-Phenyl-Benzonaphthyridine Derivatives and their Use as Pde 3/4 Inhibitors ALTANA PHARMA AG (DE) 2007-09-06 US disclosed
EP-1732925-A1 NOVEL N-(ALKOXYALKYL)CARBAMOYL- SUBSTITUTED 6-PHENYL-BENZONAPHTHYRIDINE DERIVATIVES AND THEIR USE AS PDE3/4 INHIBITORS Altana Pharma AG (DE) 2006-12-20 EP disclosed
WO-2005090345-A1 NOVEL N- (ALKOXYALKYL) CARBAMOYL - SUBSTITUTED 6-PHENYL-BENZONAPHTHYRIDINE DERIVATIVES AND THEIR USE AS PDE3/4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-29 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-20070208051-A1 Novel N-(Alkoxyalkyl) Carbamoyl-Substituted 6-Phenyl-Benzonaphthyridine Derivatives and their Use as Pde 3/4 Inhibitors PDE3A, PDE4A, PDE5A SIGMAR1 1634/4885BCHE 76/4885TACR1 734/4885

“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.