SCHEMBL8778970

SCHEMBL8778970

O=C1c2ccccc2CCC12CCCC2

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.70
HTR2A P28223 12/20 0.70
HTR2C P28335 12/20 0.70
HTR2B P41595 12/20 0.70
DRD2 P14416 12/20 0.59
CYP2A6 P11509 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CES1 P23141 1/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL7500484 0.98 SIGMAR1 (0.68) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL18494688 0.96 SIGMAR1 (0.70) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL18494326 0.92 SIGMAR1 (0.74) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7943845 0.85 SIGMAR1 (0.65) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL29790999 0.84 SIGMAR1 (0.64) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL1912704 0.84 SIGMAR1 (0.64) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL15692839 0.82 ALDH1A1 (0.54) SIGMAR1HTR2AHTR2CHTR2BPOLB
SCHEMBL6836356 0.82 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL3497387 0.82 SIGMAR1 (0.54) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7887209 0.81 SIGMAR1 (0.60) SIGMAR1HTR2AHTR2CHTR2BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230055376-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2023-02-23 US disclosed
US-20230055376-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2023-02-23 US disclosed
EP-3328835-B1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARM INC (US) 2022-10-12 EP disclosed
US-11395824-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2022-07-26 US disclosed
US-20200383993-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2020-12-10 US disclosed
US-20200383993-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2020-12-10 US disclosed
US-10624900-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
US-10624900-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
US-20200078368-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2020-03-12 US disclosed
US-10272094-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2019-04-30 US disclosed
US-10272094-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2019-04-30 US disclosed
US-20180214455-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2018-08-02 US disclosed
US-20180214455-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2018-08-02 US disclosed
US-20180214455-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. 2018-08-02 US disclosed
WO-2017023679-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2017-02-09 WO disclosed
EP-0606661-B1 Octahydrophenanthrene derivatives and their use as NMDA-Antagonists HOFFMANN LA ROCHE (CH) 1997-03-12 EP disclosed
US-5385947-A For prevention of nerve damage due to reduction of blood or oxygen supplies HOFFMANN-LA ROCHE INC. (US) 1995-01-31 US disclosed
EP-0606661-A1 Octahydrophenanthrene derivatives and their use as NMDA-Antagonists F. HOFFMANN-LA ROCHE AG (CH) 1994-07-20 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 (7 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-10624900-B2 5-HT2C receptor agonists and compositions and methods of use HTR2C, HTR2A, HCRTR2 SIGMAR1 551/4885HTR2A 2/4885HTR2C 1/4885
US-20180214455-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 SIGMAR1 551/4885HTR2A 2/4885HTR2C 1/4885
US-20230055376-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 SIGMAR1 551/4885HTR2A 2/4885HTR2C 1/4885
US-20200078368-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 SIGMAR1 551/4885HTR2A 2/4885HTR2C 1/4885
US-10272094-B2 5-HT2C receptor agonists and compositions and methods of use HTR2C, HTR2A, HCRTR2 SIGMAR1 551/4885HTR2A 2/4885HTR2C 1/4885
US-20200383993-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE HTR2C, HTR2A, HCRTR2 SIGMAR1 551/4885HTR2A 2/4885HTR2C 1/4885
US-11395824-B2 5-HT2C receptor agonists and compositions and methods of use HTR2C, HTR2A, HCRTR2 SIGMAR1 551/4885HTR2A 2/4885HTR2C 1/4885

“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.