SCHEMBL2440274

SCHEMBL2440274

COc1ccc2c(c1)CCC(Br)C2=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP24A1 Q07973 6/20 0.56
▸ CYP27A1 Q02318 3/20 0.56
▸ CYP26A1 O43174 3/20 0.55
▸ CYP19A1 P11511 1/20 0.55
▸ DRD2 P14416 3/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ HTR2C P28335 2/20 0.49
▸ HTR2B P41595 2/20 0.49
▸ SIGMAR1 Q99720 2/20 0.49
▸ METAP1 P53582 3/20 0.49
▸ ACHE P22303 1/20 0.45
▸ DRD3 P35462 1/20 0.45

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
SCHEMBL5241361 0.91 CYP24A1 (0.51) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL30714800 0.88 ACHE (0.56) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL3875408 0.88 ACHE (0.56) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL13039619 0.84 DRD2 (0.60) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL4462617 0.84 METAP1 (0.58) CYP24A1CYP27A1CYP26A1CYP19A1HTR2A
SCHEMBL630841 0.83 ACHE (0.58) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL7271049 0.83 CYP24A1 (0.56) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL13193349 0.81 THRA (0.62) CYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL22867686 0.81 CYP24A1 (0.55) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL5753017 0.81 CYP24A1 (0.55) CYP24A1CYP27A1CYP26A1CYP19A1DRD2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2018-09-25 — — US disclosed
US-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-01-04 — — US disclosed
US-9708353-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-07-18 — — US disclosed
US-9708353-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-07-18 — — US disclosed
EP-2364089-B1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC (US) 2016-12-07 — — EP disclosed
US-9181191-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2015-11-10 — — US disclosed
US-9181191-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2015-11-10 — — US disclosed
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2015-08-20 — — US disclosed
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2015-08-20 — — US disclosed
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2014-04-10 — — US disclosed
EP-0851862-A1 1(HETERO)ARYL-4-(CONDENSED THIAZOL-2-YLALKYL)-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF 5-HT1A-RECEPTOR MEDIATED DISORDERS Pharmacia Italia S.p.A. (IT) 1998-07-08 — — EP disclosed
WO-1997008159-A1 1(HETERO)ARYL-4-(CONDENSED THIAZOL-2-YLALKYL)-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF 5-HT1A-RECEPTOR MEDIATED DISORDERS PHARMACIA & UPJOHN S.P.A. (IT) 1997-03-06 — — WO disclosed
CN-1029960-C Process for preparing chromanol derivatives having neuroprotective effect PFIZER (US) 1995-10-11 — — CN disclosed
US-5436255-A Method of treating diseases susceptable to treatment by blocking NMDA-receptors PFIZER INC. (US) 1995-07-25 — — US disclosed
US-5356905-A Neuroprotective 3-piperidino-4-hydroxychroman derivatives and analogs PFIZER INC. (US) 1994-10-18 — — US disclosed
EP-0441506-B1 Neuroprotective 3-piperidino-4-hydrosychroman derivatives PFIZER (US) 1994-07-20 — — EP disclosed
WO-1991012005-A1 NEUROPROTECTIVE 3-PIPERIDINO-4-HYDROXYCHROMAN DERIVATIVES AND ANALOGS PFIZER INC. (US) 1991-08-22 — — WO disclosed
CN-1053923-A 3-piperidino-(1-position only)-4-hydroxy benzo dichloro-pyran derivative with neuroprotective PFIZER (US) 1991-08-21 — — CN disclosed
EP-0441506-A2 Neuroprotective 3-piperidino-4-hydrosychroman derivatives PFIZER INC. (US) 1991-08-14 — — EP disclosed
US-3954983-A CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS RICHARDSON-MERRELL INC. (US) 1976-05-04 — — 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 (4 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-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 CYP24A1 1594/4885CYP27A1 1199/4885CYP26A1 3735/4885
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 CYP24A1 1594/4885CYP27A1 1199/4885CYP26A1 3735/4885
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 CYP24A1 1594/4885CYP27A1 1199/4885CYP26A1 3735/4885
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 CYP24A1 1594/4885CYP27A1 1199/4885CYP26A1 3735/4885

“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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