SCHEMBL3709832

SCHEMBL3709832

CCC(C)[C@H](N)C(=O)NNc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.55
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.45
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 3/20 0.43
DPP8 Q6V1X1 3/20 0.43
DPP9 Q86TI2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
P2RX7 Q99572 1/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP4 P27487 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
HTT P42858 2/20 0.41
GFER P55789 1/20 0.41
ALPL P05186 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3890657 0.86 POLB (0.57) GAAALDH1A1POLBKDM4ELMNA
SCHEMBL3632306 0.79 GAA (0.60) GAAALDH1A1LMNADPP8DPP9
SCHEMBL7410019 0.78 DPP8 (0.45) GAAALDH1A1POLBLMNADPP8
SCHEMBL28581001 0.77 GAA (0.68) GAAALDH1A1POLBKDM4ELMNA
SCHEMBL7325083 0.76 SMN1; SMN2 (0.59) ALDH1A1POLBMAPTLMNASMN1; SMN2
SCHEMBL7325081 0.76 KDM4E (0.52) ALDH1A1KDM4EMAPTLMNADPP8
SCHEMBL8546297 0.76 SMN1; SMN2 (0.59) ALDH1A1POLBMAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL9706397 0.75 SMN1; SMN2 (0.57) ALDH1A1POLBMAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7276859 0.75 KDM4E (0.51) ALDH1A1KDM4EMAPTLMNADPP8
SCHEMBL10448601 0.74 HTT (0.56) GAAALDH1A1POLBLMNASMN1; SMN2

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-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US claimed
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-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 GAA 4227/4885ALDH1A1 1733/4885POLB 4661/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 GAA 4227/4885ALDH1A1 1733/4885POLB 4661/4885

“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.