SCHEMBL24224451

SCHEMBL24224451

CCN(C)[C@H]1Cc2ccc(OC(F)(F)F)cc2[C@]2(C)CCCC[C@H]12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 8/20 0.49
▸ SIGMAR1 Q99720 7/20 0.49
▸ TMEM97 Q5BJF2 3/20 0.49
▸ SLC6A3 Q01959 4/20 0.41
▸ GRIN1 Q05586 6/20 0.37
▸ GRIN2A Q12879 6/20 0.37
▸ GRIN2D O15399 5/20 0.37
▸ GRIN3B O60391 5/20 0.37
▸ GRIN2B Q13224 5/20 0.37
▸ GRIN2C Q14957 5/20 0.37
▸ GRIN3A Q8TCU5 5/20 0.37
▸ SLC22A1 O15245 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ HTR2A P28223 1/20 0.34

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
SCHEMBL13361592 0.87 GRIN1 (0.47) SLC6A4SIGMAR1TMEM97GRIN1GRIN2A
SCHEMBL26232267 0.87 GRIN1 (0.47) SLC6A4SIGMAR1TMEM97GRIN1GRIN2A
SCHEMBL22803241 0.80 OPRM1 (0.52) SLC6A4SIGMAR1GRIN1GRIN2AGRIN2D
SCHEMBL24224567 0.79 SLC6A4 (0.40) SLC6A4SIGMAR1TMEM97SLC6A3TDP1
SCHEMBL21670909 0.74 SLC6A4 (0.51) SLC6A4SIGMAR1TMEM97SLC6A3GRIN1
SCHEMBL18236060 0.73 OPRD1 (0.47) OPRM1OPRK1
SCHEMBL22945773 0.73 GRIN1 (0.46) SLC6A4SIGMAR1TMEM97SLC6A3GRIN1
SCHEMBL18460931 0.72 GRIN1 (0.49) SLC6A4SIGMAR1TMEM97GRIN1GRIN2A
SCHEMBL24168724 0.72 GRIN1 (0.41) SLC6A4SIGMAR1TMEM97GRIN1GRIN2A
SCHEMBL18458898 0.71 DRD2 (0.37) SLC6A4SIGMAR1TMEM97GRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285387-A1 COMBINATION OF MORPHINAN COMPOUNDS AND ANTIDEPRESSANT FOR THE TREATMENT OF PSEUDOBULBAR AFFECT, NEUROLOGICAL DISEASES, INTRACTABLE AND CHRONIC PAIN AND BRAIN INJURY CONCERT PHARMACEUTICALS, INC. 2023-09-14 — — US disclosed
US-20220023292-A1 COMBINATION OF MORPHINAN COMPOUNDS AND ANTIDEPRESSANT FOR THE TREATMENT OF PSEUDOBULBAR AFFECT, NEUROLOGICAL DISEASES, INTRACTABLE AND CHRONIC PAIN AND BRAIN INJURY CONCERT PHARMACEUTICALS, INC. 2022-01-27 — — 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 (2 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-20230285387-A1 COMBINATION OF MORPHINAN COMPOUNDS AND ANTIDEPRESSANT FOR THE TREATMENT OF PSEUDOBULBAR AFFECT, NEUROLOGICAL DISEASES, INTRACTABLE AND CHRONIC PAIN AND BRAIN INJURY MAOB, DBH, OPRL1 SLC6A4 14/4885SIGMAR1 26/4885TMEM97 693/4885
US-20220023292-A1 COMBINATION OF MORPHINAN COMPOUNDS AND ANTIDEPRESSANT FOR THE TREATMENT OF PSEUDOBULBAR AFFECT, NEUROLOGICAL DISEASES, INTRACTABLE AND CHRONIC PAIN AND BRAIN INJURY MAOB, DBH, OPRL1 SLC6A4 14/4885SIGMAR1 26/4885TMEM97 693/4885

“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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