SCHEMBL2140210

SCHEMBL2140210

C[C@@H]([CH]CNC(=O)NCCN1CCOCC1)CC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 2/20 0.44
CNR1 P21554 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3634274 0.86 TSHR (0.44) TSHRMAPTSMN1; SMN2LMNATDP1
SCHEMBL3634128 0.84 SMN1; SMN2 (0.50) TSHRMAPTSMN1; SMN2LMNAGAA
SCHEMBL3631757 0.81 TSHR (0.50) TSHRMAPTSMN1; SMN2LMNATDP1
SCHEMBL3629627 0.79 TSHR (0.48) TSHRMAPTSMN1; SMN2LMNATDP1
SCHEMBL2140176 0.78 HTT (0.50) SMN1; SMN2GAAKDM4E
SCHEMBL2142635 0.78 PRMT3 (0.35)
SCHEMBL3897267 0.77 SMN1; SMN2 (0.60) TSHRSMN1; SMN2LMNACNR1TDP1
SCHEMBL2141436 0.75 EPHX2 (0.41) TDP1ALDH1A1
SCHEMBL3632130 0.74 GAA (0.56) MAPTSMN1; SMN2LMNAGAAALDH1A1
SCHEMBL2139278 0.73 EPHX1 (0.38) GAAALDH1A1KDM4E

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-8541462-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2013-09-24 US disclosed
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US disclosed
US-8148546-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2012-04-03 US disclosed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 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 (2 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-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 TSHR 498/4885MAPT 3996/4885SMN1; SMN2 4297/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 TSHR 498/4885MAPT 3996/4885SMN1; SMN2 4297/4885

“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.