SCHEMBL5596387

SCHEMBL5596387

CCC(=O)NC1CC[CH]CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL256673 0.84
SCHEMBL11682924 0.84 MTNR1A (0.50) MTNR1AMTNR1BSMN1; SMN2MAPTNPSR1
SCHEMBL5597157 0.84 MTNR1A (0.50) MTNR1AMTNR1BSMN1; SMN2MAPTHPGD
Hydrochloric Acid SCHEMBL28162204 0.82
SCHEMBL5596894 0.81 MTNR1A (0.43) MTNR1AMTNR1BSMN1; SMN2MAPTCYP1A2
SCHEMBL256674 0.80
SCHEMBL827936 0.80 SMN1; SMN2 (0.61) SMN1; SMN2MAPTNPSR1HPGDKMT2A
SCHEMBL9937368 0.79 SMYD3 (0.43) SMN1; SMN2HPGDKMT2AALDH1A1LMNA
SCHEMBL4503819 0.79 MAOA (0.42) SMN1; SMN2MAPTNPSR1
SCHEMBL1561639 0.79 NPSR1 (0.68) SMN1; SMN2CYP1A2NPSR1HPGDKMT2A

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
WO-2018103060-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 WO disclosed
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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 (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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A MTNR1A 238/4885MTNR1B 289/4885SMN1; SMN2 2149/4885

“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.