SCHEMBL6895073

SCHEMBL6895073

COc1ccc2c(c1)O[C@@H](COS(=O)(=O)c1ccc(C)cc1)CO2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
FFAR1 O14842 7/20 0.48
CA2 P00918 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.42
HTR6 P50406 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 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
SCHEMBL1041765 1.00 MTNR1A (0.51) MTNR1AFFAR1CA2LMNASMN1; SMN2
SCHEMBL7670945 0.95 MTNR1A (0.46) MTNR1AFFAR1CA2LMNASMN1; SMN2
SCHEMBL6631863 0.95 MTNR1A (0.46) MTNR1AFFAR1CA2LMNASMN1; SMN2
SCHEMBL1043582 0.90 CA2 (0.46) MTNR1AFFAR1CA2LMNASMN1; SMN2
SCHEMBL6973466 0.89 CA2 (0.57) FFAR1CA2LMNASMN1; SMN2MAPT
SCHEMBL6973472 0.89 CA2 (0.57) FFAR1CA2LMNASMN1; SMN2MAPT
SCHEMBL1042426 0.87 CA2 (0.43) MTNR1AFFAR1CA2LMNASMN1; SMN2
SCHEMBL1019038 0.86 FFAR1 (0.49) FFAR1CA2LMNASMN1; SMN2MAPT
SCHEMBL1018787 0.86 FFAR1 (0.49) FFAR1CA2LMNASMN1; SMN2MAPT
SCHEMBL1019975 0.86 FFAR1 (0.49) FFAR1CA2LMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381600-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-BENZODIOXAN Wyeth, A Corporation of the State of Delaware (US) 2004-01-21 EP disclosed
US-20030236241-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan WYETH 2003-12-25 US disclosed
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed
US-20020193400-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2002-12-19 US disclosed
WO-2002085896-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-BENZODIOXAN WYETH (US) 2002-10-31 WO disclosed
US-5935973-A AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS KNOLL AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
EP-0839145-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 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 (2 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-20020193400-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan OPRD1, DRD1, DRD2 MTNR1A 1336/4885FFAR1 1708/4885CA2 4787/4885
US-20030236241-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan OPRD1, DRD1, DRD2 MTNR1A 1336/4885FFAR1 1708/4885CA2 4787/4885

“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.