SCHEMBL3699356

SCHEMBL3699356

CCC(C)[C@H](N)C(=O)Nc1ccc(O)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.50
AAK1 Q2M2I8 2/20 0.47
CIT O14578 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 4/20 0.44
CA14 Q9ULX7 4/20 0.44
KDM4E B2RXH2 1/20 0.42
SUV39H2 Q9H5I1 1/20 0.40
SPHK1 Q9NYA1 4/20 0.40
LMNA P02545 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
SCHEMBL3667726 0.80 CIT (0.53) TERTAAK1CITMEN1CYP3A4
SCHEMBL3665648 0.79 AAK1 (0.59) TERTAAK1MEN1CYP1A2CYP3A4
Bromide SCHEMBL5891506 0.76 SMN1; SMN2 (0.55) TERTAAK1CITMEN1CYP1A2
SCHEMBL10448121 0.75 MEN1 (0.55) TERTCITMEN1GAAKMT2A
SCHEMBL4243159 0.75 MEN1 (0.55) TERTCITMEN1GAAKMT2A
SCHEMBL26098377 0.74 RAB9A (0.47) AAK1CITMEN1GAAKMT2A
SCHEMBL26098374 0.74 RAB9A (0.47) AAK1CITMEN1GAAKMT2A
SCHEMBL3666626 0.73 KMT2A (0.62) AAK1CITMEN1CYP1A2GAA
SCHEMBL14241325 0.73 TSHR (0.64) MEN1CYP1A2CYP3A4GAACYP2D6
SCHEMBL3670899 0.72 GAA (0.48) TERTAAK1CITMEN1GAA

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-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 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
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP claimed
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 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-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
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
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 (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 TERT 4479/4885AAK1 1693/4885CIT 2399/4885
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS LHCGR, GNRHR, FSHR TERT 4420/4885AAK1 2170/4885CIT 3437/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 TERT 4479/4885AAK1 1693/4885CIT 2399/4885

“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.