SCHEMBL3666626

SCHEMBL3666626

CCC(C)[C@H](N)C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 2/20 0.62
HTT P42858 2/20 0.56
PKM P14618 1/20 0.55
MEN1 O00255 2/20 0.54
KLK7 P49862 3/20 0.53
AAK1 Q2M2I8 1/20 0.53
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
CIT O14578 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49

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
Hydrochloric Acid SCHEMBL8615333 0.99 KMT2A (0.61) KMT2AALDH1A1HTTPKMMEN1
Hydrochloric Acid SCHEMBL8615328 0.99 KMT2A (0.61) KMT2AALDH1A1HTTPKMMEN1
SCHEMBL3634514 0.86 KMT2A (0.49) KMT2AALDH1A1HTTPKMMEN1
SCHEMBL18896432 0.85 KMT2A (0.66) KMT2AALDH1A1HTTPKMMEN1
SCHEMBL3667726 0.83 CIT (0.53) KMT2AALDH1A1MEN1AAK1SMN1; SMN2
SCHEMBL26741222 0.83 ALDH1A1 (0.68) KMT2AALDH1A1HTTPKMKLK7
SCHEMBL26741245 0.83 ALDH1A1 (0.68) KMT2AALDH1A1HTTPKMKLK7
SCHEMBL3667176 0.82 ALDH1A1 (0.56) KMT2AALDH1A1HTTPKMMEN1
SCHEMBL10448121 0.81 MEN1 (0.55) KMT2AALDH1A1MEN1KLK7SMN1; SMN2
SCHEMBL4243159 0.81 MEN1 (0.55) KMT2AALDH1A1MEN1KLK7SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP claimed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US claimed
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS AETERNA ZENTARIS GMBH (DE) 2009-03-19 US claimed
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO claimed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP 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
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP disclosed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US disclosed
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS AETERNA ZENTARIS GMBH (DE) 2009-03-19 US disclosed
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO disclosed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP 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 (3 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 KMT2A 4477/4885ALDH1A1 1733/4885HTT 4305/4885
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS LHCGR, GNRHR, FSHR KMT2A 1560/4885ALDH1A1 727/4885HTT 340/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 KMT2A 4477/4885ALDH1A1 1733/4885HTT 4305/4885

“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.