SCHEMBL6650008

SCHEMBL6650008

CC1CC(C)N(C(=O)OC(C)(C)C)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
PTGDR2 Q9Y5Y4 8/20 0.42
NOTUM Q6P988 2/20 0.42
SCN9A Q15858 1/20 0.41
KDM1A O60341 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL30346236 0.88 KDM1A (0.44) BCHEPTGDR2NOTUMSCN9AKDM1A
SCHEMBL30681428 0.80 BCHE (0.46) BCHESCN9AKDM1A
SCHEMBL18407443 0.79 NOTUM (0.57) PTGDR2NOTUMMEN1KMT2ALMNA
SCHEMBL31139408 0.79 PTGDR2 (0.44) BCHEPTGDR2SCN9ALMNASMN1; SMN2
SCHEMBL30346016 0.79 PTGDR2 (0.44) BCHEPTGDR2SCN9ALMNASMN1; SMN2
SCHEMBL15746086 0.78 NOTUM (0.65) NOTUMLMNASMN1; SMN2HTTTSHR
SCHEMBL13108813 0.78 NOTUM (0.65) NOTUMLMNASMN1; SMN2HTTTSHR
SCHEMBL29571656 0.78 NOTUM (0.65) NOTUMLMNASMN1; SMN2HTTTSHR
SCHEMBL17452555 0.78 NOTUM (0.65) NOTUMLMNASMN1; SMN2HTTTSHR
SCHEMBL12118640 0.78 SCN9A (0.40) BCHEPTGDR2NOTUMSCN9AKDM1A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186132-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2004-09-23 US disclosed
US-6696459-B1 USING HIGH AFFINITY, HIGH SELECTIVITY QUINOLINE DERIVATIVESW LIGAND PHARMACEUTICALS INC. 2004-02-24 US disclosed
EP-1382597-A2 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. (US) 2004-01-21 EP disclosed
EP-0800519-B1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2003-10-22 EP disclosed
US-6448405-B1 COUPLING A 2-HALO-5-NITROBENZOIC ACID AND A 2-METHOXYPHENYL BORONIC ACID; CYCLIZING TO A NITROBENZOCOUMARIN; REDUCING TO THE AMINE; CONVERTING TO A COUMARINO(3,4-F)QUINOLINE; REDUCTION TO A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED 2002-09-10 US disclosed
EP-1043325-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 EP disclosed
EP-1043326-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 EP disclosed
EP-1043315-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 EP disclosed
EP-1041071-A1 Methods for the preparation of coumarine derivatives LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-04 EP disclosed
EP-1041066-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-04 EP disclosed
US-6093821-A MAKING 6-(PHENYL OR HETEROARYL)-1,2-DIHYDRO-N-1-PROTECTED QUINOLINE BY REACTING THE CORRESPONDING 6-HALO-DERIVATIVE WITH AN ORGANOBORATE AND ACID TREATMENT TO FORM THE 6-BORO-DERIVATIVE, COUPLING WITH PHENYL OR HETEROARYL HALIDE LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-07-25 US disclosed
US-5994544-A PRODUCING A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-11-30 US disclosed
US-5696130-A Tricyclic steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5696133-A ADMINISTERING COMPOUND WHICH MODULATES ACTIVITY OF PROGESTERONE RECEPTOR LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5693647-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5693646-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5688808-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
US-5688810-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 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 (1 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-20040186132-A1 Steroid receptor modulator compounds and methods NR5A1, ESRRA, NR3C2 BCHE 2169/4885PTGDR2 102/4885NOTUM 1416/4885

“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.