SCHEMBL6576929

SCHEMBL6576929

COC(=O)[C@H](C)Cc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.56
PPARD Q03181 2/20 0.56
PPARA Q07869 2/20 0.56
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
TACR1 P25103 1/20 0.50
RECQL P46063 1/20 0.50
MMP9 P14780 3/20 0.49
MMP1 P03956 1/20 0.49
MMP13 P45452 1/20 0.49
ADAM17 P78536 1/20 0.49
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
MMP8 P22894 2/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
CTSL P07711 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
SCHEMBL23552012 0.88 PPARG (0.51) PPARGPPARDPPARAHTR2AHTR2C
SCHEMBL23015424 0.86 HTR2A (0.53) PPARGPPARDPPARAHTR2AHTR2C
SCHEMBL23257472 0.86 HTR2A (0.53) PPARGPPARDPPARAHTR2AHTR2C
SCHEMBL23552072 0.86 HTR2A (0.54) PPARGPPARDPPARAHTR2AHTR2C
SCHEMBL22231523 0.86 PPARG (0.72) PPARGPPARDPPARAHTR2AHTR2C
Hydrochloric Acid SCHEMBL23525207 0.85 HTR2A (0.52) PPARGPPARDPPARAHTR2AHTR2C
Hydrochloric Acid SCHEMBL23525210 0.85 HTR2A (0.52) PPARGPPARDPPARAHTR2AHTR2C
SCHEMBL15446164 0.83 PPARG (0.54) PPARGPPARDPPARAHTR2AHTR2C
SCHEMBL22231349 0.83 PPARG (0.74) PPARGPPARDPPARAHTR2AHTR2C
SCHEMBL237566 0.83 HTR2A (0.57) PPARGPPARDPPARAHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397358-A1 TROPANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2004-03-17 EP disclosed
WO-2002102801-A1 TROPANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2002-12-27 WO disclosed
US-20020128284-A1 Tropane-derivatives, their preparation and use NEUROSEARCH A/S 2002-09-12 US disclosed
EP-0756596-B1 TROPANE-2-ALDOXIME DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS NEUROSEARCH AS (DK) 2002-08-21 EP disclosed
US-6288079-B1 MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS; NERVOUS SYSTEM, PSYCHOLOGICAL, EATING, SLEEP, AND BRAIN DISORDERS; ALZHEIMER*S AND PARKINSON*S DISEASE; TESOFENSINE (2-ethoxymethyl-3-(3,4-dichlorophenyl)-tropane) NEUROSEARCH A/S (DK) 2001-09-11 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 (1 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-20020128284-A1 Tropane-derivatives, their preparation and use ADRB3, ADRB2, ADRA2C PPARG 3479/4885PPARD 2832/4885PPARA 2998/4885

“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.