SCHEMBL12262235

SCHEMBL12262235

CC1CC2(CCN1C(=O)OC(C)(C)C)CC(=O)c1ccccc1O2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.49
▸ EPHX2 P34913 4/20 0.48
▸ EPHX1 P07099 2/20 0.48
▸ SCN5A Q14524 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ IDO1 P14902 1/20 0.41

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
SCHEMBL21145875 1.00 ATM (0.49) ATMEPHX2EPHX1SCN5ASIGMAR1
SCHEMBL19838881 1.00 ATM (0.49) ATMEPHX2EPHX1SCN5ASIGMAR1
SCHEMBL4509631 0.90 ATM (0.49) ATMEPHX2EPHX1SCN5ASIGMAR1
SCHEMBL3702583 0.84 ATM (0.56) ATMEPHX2EPHX1SCN5ASIGMAR1
SCHEMBL467280 0.84 ATM (0.56) ATMEPHX2EPHX1SCN5ASIGMAR1
SCHEMBL19852543 0.82 GPR119 (0.45) EPHX2EPHX1SIGMAR1HRH3IDO1
SCHEMBL3224459 0.82 ATM (0.51) ATMEPHX2EPHX1SCN5ASIGMAR1
SCHEMBL3224457 0.82 ATM (0.51) ATMEPHX2EPHX1SCN5ASIGMAR1
SCHEMBL471445 0.80 HRH3 (0.52) ATMEPHX2EPHX1SCN5ASIGMAR1
SCHEMBL3493021 0.80 HRH3 (0.52) ATMEPHX2EPHX1SCN5ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 — — US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 — — US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 — — WO disclosed
US-8022060-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-09-20 — — US disclosed
US-8022060-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-09-20 — — US disclosed
US-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2011-09-08 — — US disclosed
US-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2011-09-08 — — US disclosed
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-02-04 — — US disclosed
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-02-04 — — US disclosed
US-7598261-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2009-10-06 — — US disclosed
US-7598261-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2009-10-06 — — US disclosed
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CALIXA THERAPEUTICS, INC. 2008-05-22 — — US disclosed
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CALIXA THERAPEUTICS, INC. 2008-05-22 — — 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 (5 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-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 ATM 4539/4885EPHX2 868/4885EPHX1 841/4885
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C ATM 2033/4885EPHX2 2521/4885EPHX1 3696/4885
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A ATM 2583/4885EPHX2 359/4885EPHX1 437/4885
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 ATM 4539/4885EPHX2 868/4885EPHX1 841/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C ATM 2033/4885EPHX2 2521/4885EPHX1 3696/4885

“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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