SCHEMBL16508783

SCHEMBL16508783

CCCN1CCC(C(O)CO)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
SLC6A4 P31645 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 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
SCHEMBL16508899 0.88 GNAO1 (0.46) GNAI3GNAO1GNAI1
SCHEMBL12423904 0.85 DRD2 (0.43) DRD2SMN1; SMN2CARM1PRMT6GNAI3
SCHEMBL12535764 0.83 NCF1 (0.38) GNAI3GNAO1GNAI1
SCHEMBL11598833 0.78 SLC18A3 (0.41) CARM1PRMT6KDM4ECYP1A2CYP3A4
SCHEMBL22738276 0.76 DRD2 (0.40) DRD2SMN1; SMN2
SCHEMBL4762635 0.76 DRD2 (0.46) DRD2GNAI3GNAO1GNAI1SLC6A4
SCHEMBL14837985 0.75 NCF1 (0.35) GNAI3GNAO1GNAI1
SCHEMBL24491624 0.75 DRD2 (0.39) DRD2SMN1; SMN2CARM1PRMT6GNAI3
SCHEMBL17518758 0.75 DRD2 (0.40) DRD2SMN1; SMN2CARM1PRMT6
SCHEMBL24491629 0.75 DRD2 (0.39) DRD2SMN1; SMN2CARM1PRMT6GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 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-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA DRD2 3404/4885SMN1; SMN2 3467/4885CARM1 1745/4885

“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.