SCHEMBL3655815

SCHEMBL3655815

CCCCNc1cc(C)c(C(=O)CCC)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.41
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 3/20 0.39
CISD1 Q9NZ45 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KDM6B O15054 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
HCAR3 P49019 1/20 0.38
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TLR8 Q9NR97 2/20 0.36
PRSS1 P07477 2/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3646867 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HSD17B10MAPTGAA
Hydrochloric Acid SCHEMBL11276211 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSD17B10MAPTGAA
SCHEMBL11274736 0.79 HCAR3 (0.57) PTGER4ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL11073590 0.79 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HSD17B10MAPTGAA
SCHEMBL11271074 0.78 HPGD (0.48) ALDH1A1SMN1; SMN2HSD17B10MAPTGAA
Hydrochloric Acid SCHEMBL11264387 0.77 HPGD (0.47) ALDH1A1SMN1; SMN2HSD17B10MAPTGAA
SCHEMBL11209782 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPTGAAKDM4E
SCHEMBL11276126 0.76 HSD17B3 (0.44) ALDH1A1HSD17B10MAPTHPGDALOX15
Hydrochloric Acid SCHEMBL11212030 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSD17B10MAPTGAA
SCHEMBL12959658 0.72 PRSS1 (0.41) CISD1TLR8PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197872-A1 PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Novartis Ag (CH) 2010-06-23 EP disclosed
US-20090074791-A1 Phenylisoquinoline and Phenylquinazoline Derivatives BEERLI RENE 2009-03-19 US disclosed
WO-2009027475-A1 PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES NOVARTIS AG (CH) 2009-03-05 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-20090074791-A1 Phenylisoquinoline and Phenylquinazoline Derivatives CAMK1D, CAMK1, PHPT1 PTGER4 1325/4885ALDH1A1 4385/4885SMN1; SMN2 4657/4885

“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.