SCHEMBL6652038

SCHEMBL6652038

COc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
ALDH1A1 P00352 1/20 0.40
STS P08842 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
CHRM4 P08173 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
NOTUM Q6P988 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
BACE1 P56817 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL6652187 0.83 KDM1A (0.44) KDM1AALDH1A1STSGPR119CHRM4
SCHEMBL6649950 0.81 KDM1A (0.66) KDM1AGPR119NOTUMHDAC1HDAC6
SCHEMBL30346210 0.81 KDM1A (0.66) KDM1AGPR119NOTUMHDAC1HDAC6
SCHEMBL14230676 0.79 DRD2 (0.55) ALDH1A1STSGPR119CHRM4DRD2
SCHEMBL30802841 0.77 HSD17B10 (0.54) ALDH1A1CHRM4DRD2HTR7NOTUM
SCHEMBL1734457 0.77 HSD17B10 (0.54) ALDH1A1CHRM4DRD2HTR7NOTUM
SCHEMBL5599635 0.76 HDAC1 (0.38) KDM1AALDH1A1STSNOTUMHTT
SCHEMBL15074679 0.74 KDM1A (0.48) KDM1AALDH1A1GPR119CHRM4DRD2
SCHEMBL5389996 0.74 NOTUM (0.68) GPR119CHRM4DRD2HTR7NOTUM
SCHEMBL10256435 0.73 KDM1A (0.47) KDM1AALDH1A1CHRM4DRD2HTR7

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 22 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-1043326-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 EP disclosed
EP-1043325-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-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-5696127-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5693646-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5693647-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 KDM1A 4097/4885ALDH1A1 3161/4885STS 627/4885

“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.