SCHEMBL3632306

SCHEMBL3632306

CCC(C)[C@H](N)C(=O)NNc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.60
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
ALOX5 P09917 2/20 0.49
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
DPP4 P27487 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
METAP2 P50579 2/20 0.45
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3634279 0.88 TERT (0.46) GAALMNAALDH1A1PKMSMN1; SMN2
SCHEMBL3984324 0.85 GAA (0.48) GAALMNAALDH1A1PKMCYP3A4
SCHEMBL4243159 0.84 MEN1 (0.55) GAALMNAALDH1A1SMN1; SMN2DPP8
SCHEMBL10448121 0.84 MEN1 (0.55) GAALMNAALDH1A1SMN1; SMN2DPP8
SCHEMBL10434862 0.83 GAA (0.68) GAALMNAALDH1A1PKMSMN1; SMN2
SCHEMBL3634514 0.82 KMT2A (0.49) GAAALDH1A1PKMSMN1; SMN2CYP2C19
SCHEMBL3701333 0.80 RAB9A (0.47) ALDH1A1SMN1; SMN2CYP3A4DPP8DPP9
SCHEMBL3709832 0.79 GAA (0.55) GAALMNAALDH1A1PKMSMN1; SMN2
SCHEMBL6570519 0.76 GAA (1.00) GAALMNAALDH1A1PKMSMN1; SMN2
SCHEMBL7314855 0.75 MEN1 (0.56) GAALMNAALDH1A1SMN1; SMN2TSHR

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 18 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 claimed
WO-2009106597-A1 USE OF LHRH ANTAGONISTS AT NON-CASTRATING DOSES ÆTERNA ZENTARIS GMBH (DE) 2009-09-03 WO claimed
US-20090221569-A1 USE OF LHRH ANTAGONISTS FOR INTERMITTENT TREATMENTS AETERNA ZENTARIS GMBH (DE) 2009-09-03 US 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
US-8541462-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2013-09-24 US disclosed
US-8273716-B2 Use of LHRH antagonists for intermittent treatments SPECTRUM PHARMACEUTICALS, INC. (US) 2012-09-25 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
EP-2131854-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY Aeterna Zentaris Gmbh (DE) 2009-12-16 EP disclosed
WO-2009106597-A1 USE OF LHRH ANTAGONISTS AT NON-CASTRATING DOSES ÆTERNA ZENTARIS GMBH (DE) 2009-09-03 WO disclosed
US-20090221569-A1 USE OF LHRH ANTAGONISTS FOR INTERMITTENT TREATMENTS AETERNA ZENTARIS GMBH (DE) 2009-09-03 US disclosed
EP-2095818-A1 Use of LHRH antagonists at non-castrating doses AEterna Zentaris GmbH (DE) 2009-09-02 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
WO-2008107446-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY ÆTERNA ZENTARIS GMBH (DE) 2008-09-12 WO 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 (4 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 4227/4885LMNA 3715/4885ALDH1A1 1733/4885
US-20090221569-A1 USE OF LHRH ANTAGONISTS FOR INTERMITTENT TREATMENTS GNRHR, LHCGR, GHRHR GAA 2220/4885LMNA 3245/4885ALDH1A1 2497/4885
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS LHCGR, GNRHR, FSHR GAA 931/4885LMNA 3900/4885ALDH1A1 727/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 GAA 4227/4885LMNA 3715/4885ALDH1A1 1733/4885

“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.