SCHEMBL4921083

SCHEMBL4921083

CCOC(=O)c1cc2c(cc1Cl)-c1ccccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
GABRE P78334 1/20 0.56
GABRA6 Q16445 1/20 0.56
GABRG1 Q8N1C3 1/20 0.56
GABRG3 Q99928 1/20 0.56
GABRQ Q9UN88 1/20 0.56
MAPT P10636 8/20 0.53
TSHR P16473 1/20 0.50
ALDH1A1 P00352 6/20 0.48
LMNA P02545 4/20 0.48

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
SCHEMBL10422199 0.80 TSHR (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12647991 0.79 TSHR (0.51) MAPTTSHRALDH1A1HPGDKDM4E
SCHEMBL10901482 0.78 TSHR (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20806339 0.78 TSHR (0.58) MAPTTSHRALDH1A1HPGDKDM4E
SCHEMBL27642812 0.77 TTR (0.51) MAPTTSHRALDH1A1LMNAKDM4E
SCHEMBL6852156 0.77 TSHR (0.53) MAPTTSHRALDH1A1LMNAHPGD
SCHEMBL4914123 0.75 MAPT (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2268884 0.75 MAPT (0.75) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1560864 0.75 CDC25B (0.54) MAPTTSHRALDH1A1HPGDKDM4E
SCHEMBL20806387 0.74 TSHR (0.49) MAPTTSHRALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200551-A1 Flourene Derivative ASTELLAS PHARMA INC. (JP) 2008-08-21 US disclosed
US-20080171788-A1 Medicament For Irritable Bowel Syndrome ASTELLAS PHARMA INC. (JP) 2008-07-17 US disclosed
US-20080161419-A1 Prophylactic Antimigraine Agents ASTELLAS PHARMA INC. (JP) 2008-07-03 US disclosed
EP-1852129-A1 REMEDY FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2007-11-07 EP disclosed
EP-1728784-A1 FLUORENE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-06 EP disclosed
EP-1716867-A1 PREVENTIVES FOR MIGRAINE Astellas Pharma Inc. (JP) 2006-11-02 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-20080161419-A1 Prophylactic Antimigraine Agents HTR2B, HTR7, HTR1A GABRP 676/4885GABRD 877/4885GABRA1 635/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C GABRP 1621/4885GABRD 1869/4885GABRA1 849/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B GABRP 179/4885GABRD 667/4885GABRA1 324/4885

“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.