SCHEMBL4025535

SCHEMBL4025535

COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCC(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.52
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPT P10636 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ENPP2 Q13822 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GAA P10253 1/20 0.46

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
SCHEMBL1928480 0.84 ALDH1A1 (0.63) ALDH1A1KMT2ATDP1L3MBTL1ENPP2
SCHEMBL5391758 0.84 ALDH1A1 (0.60) ALDH1A1MAPTKMT2ATDP1L3MBTL1
SCHEMBL18425852 0.81 ALDH1A1 (0.67) HPGDALDH1A1MAPTKMT2ALMNA
SCHEMBL5402231 0.80 ALDH1A1 (0.54) ALDH1A1KMT2AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL4024622 0.80 HTR2C (0.54) —
SCHEMBL5060936 0.79 KDM4E (0.66) ALDH1A1MAPTKMT2ALMNAMAPK1
SCHEMBL4028062 0.79 ALDH1A1 (0.50) ALDH1A1MAPTKMT2ATDP1L3MBTL1
SCHEMBL5378784 0.78 ALDH1A1 (0.49) HPGDALDH1A1MAPTKMT2ALMNA
SCHEMBL5388871 0.78 ALDH1A1 (0.53) HPGDALDH1A1MAPTKMT2ALMNA
SCHEMBL6921762 0.77 PTGDR2 (0.63) HPGDALDH1A1MAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 — — EP disclosed
US-20070191457-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2007-08-16 — — US disclosed
US-20070191457-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2007-08-16 — — US disclosed
US-20070191457-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2007-08-16 — — US disclosed
EP-1603914-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2007-01-17 — — EP disclosed
EP-1603914-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2007-01-17 — — EP disclosed
EP-1611098-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2006-12-27 — — EP disclosed
US-20060281786-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2006-12-14 — — US disclosed
EP-1611098-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2006-01-04 — — EP disclosed
EP-1603914-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-12-14 — — EP disclosed
US-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy GLAXO GROUP LIMITED 2005-09-15 — — US disclosed
EP-1497265-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2005-01-19 — — EP disclosed
WO-2004089897-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2004-10-21 — — WO disclosed
WO-2004081010-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2004-09-23 — — WO disclosed
WO-2003089409-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-10-30 — — 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 (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-20070191457-A1 Compounds having activity at 5ht2c receptor and uses thereof HTR4, HTR7, HTR2C HPGD 2064/4885ALDH1A1 2118/4885MAPT 4607/4885
US-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy HTR7, HTR2C, HTR3C HPGD 1826/4885ALDH1A1 1439/4885MAPT 4698/4885
US-20060281786-A1 Compounds having activity at 5ht2c receptor and uses thereof HTR2C, HTR4, HTR3C HPGD 1179/4885ALDH1A1 1159/4885MAPT 4681/4885

“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.

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