SCHEMBL6668708

SCHEMBL6668708

CC(C)(C)OC(=O)N1CCC2Oc3ccc(-c4ccc(Cl)cc4Cl)cc3C2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.41
CNR2 P34972 2/20 0.40
MGLL Q99685 1/20 0.39
STS P08842 3/20 0.38
USP30 Q70CQ3 3/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
PAK1 Q13153 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DPP4 P27487 1/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36

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
SCHEMBL6669412 0.86 MGLL (0.43) CNR1CNR2MGLLUSP30MEN1
SCHEMBL6670108 0.85 CNR1 (0.39) CNR1CNR2MGLLSTSUSP30
SCHEMBL3080435 0.82 CNR1 (0.42) CNR1CNR2STSUSP30PTPN2
SCHEMBL3080431 0.82 CNR1 (0.42) CNR1CNR2STSUSP30PTPN2
SCHEMBL6667389 0.82 USP30 (0.40) CNR1CNR2STSUSP30PAK1
SCHEMBL6671435 0.81 CNR1 (0.38) CNR1CNR2MGLLSTSPAK1
SCHEMBL3072600 0.81 CNR1 (0.42) CNR1CNR2STSUSP30PTPN2
SCHEMBL3072601 0.81 CNR1 (0.42) CNR1CNR2STSUSP30PTPN2
SCHEMBL6670724 0.81 USP30 (0.42) MGLLUSP30DPP4
SCHEMBL6672883 0.80 MGLL (0.42) MGLLUSP30

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214815-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-6762191-B2 TREATING DISEASES FOR MODULATING OF 5-HT ACTIVITY, CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY, OBESITY, DEPRESSION, OR A STRESS-RELATED DISEASE PHARMACIA & UPJOHN COMPANY 2004-07-13 US disclosed
EP-1404679-A2 (HETERO)ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 EP disclosed
EP-1316542-A1 3-AMINO-1-INDANOLE, METHOD OF SYNTHESIZING THE SAME AND METHOD OF OPTICAL RESOLUTION Daicel Chemical Industries, Ltd. (JP) 2003-06-04 EP disclosed
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 US disclosed
WO-2003004501-A2 (HETERO) ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-16 WO disclosed
CN-1388802-A 3-amino-1-indanol, synthesis method thereof and resolution of enantiomer DAICEL CHEM (JP) 2003-01-01 CN disclosed
US-20020177736-A1 3-AMINO-1-INDANOLE, METHOD OF SYNTHESIZING THE SAME AND METHOD OF OPTICAL RESOLUTION DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-28 US disclosed
US-6479702-B1 3-amino-1-indanole, method of synthesizing the same and method of optical resolution DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US 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-20040214815-A1 Therapeutic compounds HTR5A, HTR6, HTR1A CNR1 36/4885CNR2 77/4885MGLL 3067/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A CNR1 36/4885CNR2 77/4885MGLL 3067/4885
US-20020177736-A1 3-AMINO-1-INDANOLE, METHOD OF SYNTHESIZING THE SAME AND METHOD OF OPTICAL RESOLUTION CYP51A1, IDO1, CYP8B1 CNR1 408/4885CNR2 495/4885MGLL 1790/4885

“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.