SCHEMBL2140218

SCHEMBL2140218

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.43
CNR1 P21554 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL3634130 0.83 SMN1; SMN2 (0.49) TSHRALDH1A1SMN1; SMN2LMNACA1
SCHEMBL3634277 0.81 ALDH1A1 (0.40) TSHRALDH1A1TDP1SMN1; SMN2CA12
SCHEMBL1723696 0.80 TSHR (0.59) TSHRALDH1A1TDP1MAPTGAA
SCHEMBL29859252 0.80 TSHR (0.59) TSHRALDH1A1TDP1MAPTGAA
SCHEMBL1725094 0.80 TSHR (0.59) TSHRALDH1A1TDP1MAPTGAA
SCHEMBL1724880 0.80 TSHR (0.59) TSHRALDH1A1TDP1MAPTGAA
SCHEMBL14353631 0.80 TSHR (0.59) TSHRALDH1A1TDP1MAPTGAA
SCHEMBL1723878 0.80 TSHR (0.59) TSHRALDH1A1TDP1MAPTGAA
SCHEMBL3631759 0.80 TSHR (0.59) TSHRALDH1A1TDP1MAPTGAA
SCHEMBL1726230 0.80 TSHR (0.59) TSHRALDH1A1TDP1MAPTGAA

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 498/4885ALDH1A1 1733/4885TDP1 4250/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 TSHR 498/4885ALDH1A1 1733/4885TDP1 4250/4885

“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.