SCHEMBL4622281

SCHEMBL4622281

COc1cccc2c1OC(COS(=O)(=O)c1ccc(C)cc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
HTR6 P50406 1/20 0.38
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
CA1 P00915 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
SCHEMBL6629103 1.00 CA2 (0.44) CA2HTR1AHTR1DALDH1A1CYP3A4
SCHEMBL4231318 0.90 KMT2A (0.40) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL30170903 0.85 DRD2 (0.43) CA2HTR1DALDH1A1CYP3A4CYP2D6
SCHEMBL4621894 0.85 DRD2 (0.43) CA2HTR1DALDH1A1CYP3A4CYP2D6
SCHEMBL4620614 0.85 DRD2 (0.43) CA2HTR1DALDH1A1CYP3A4CYP2D6
SCHEMBL4619378 0.85 DRD2 (0.43) CA2HTR1DALDH1A1CYP3A4CYP2D6
SCHEMBL4620583 0.85 CA2 (0.47) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL30170977 0.85 CA2 (0.47) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6746124 0.81 ADRA1D (0.47) HTR1A
SCHEMBL3894671 0.81 ADRA1D (0.47) HTR1A

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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
EP-1874756-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF Wyeth (US) 2008-01-09 EP disclosed
US-20060258714-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2006-11-16 US disclosed
WO-2006116165-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-6667322-B2 Useful for treatment of diseases such as obsessive compulsive disorder, panic attacks, anxiety, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-12-23 US disclosed
US-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole WYETH 2003-05-29 US disclosed
US-6060482-A SEROTONIN INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2000-05-09 US disclosed
US-5696137-A TREATING DISEASES OF CENTRAL NERVOUS SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5693653-A ADMINISTERING AN ANTIDEPRESSANTS BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5545643-A USEFUL FOR TREATING DISEASES OF CENTRAL NERVOUS SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1996-08-13 US disclosed
EP-0546389-B1 Piperidylmethyl substituted chroman derivatives as agents for the treatment of diseases of the central nervous system BAYER AG (DE) 1996-04-17 EP disclosed
EP-0546388-B1 Azaheterocyclylmethyl-chromans as agents for the treatment of diseases of the central nervous system BAYER AG (DE) 1996-03-27 EP disclosed
US-5371094-A Azaheterocyclylmethyl-chromans for treating axiety BAYER AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
US-5326771-A Piperidylmethyl-substituted chroman derivatives BAYER AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed
EP-0546389-A1 Piperidylmethyl substituted chroman derivatives as agents for the treatment of diseases of the central nervous system BAYER AG (DE) 1993-06-16 EP disclosed
EP-0546388-A1 Azaheterocyclylmethyl-chromans as agents for the treatment of diseases of the central nervous system BAYER AG (DE) 1993-06-16 EP disclosed
EP-0539803-A1 Triazospirodecanone-methyl-chromans for the treatment of central nervous system illnesses BAYER AG (DE) 1993-05-05 EP 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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 CA2 2235/4885HTR1A 1/4885HTR1D 6/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 CA2 2235/4885HTR1A 1/4885HTR1D 6/4885
US-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole TPH1, HTR1D, HTR1A CA2 4518/4885HTR1A 3/4885HTR1D 2/4885

“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.