SCHEMBL3176910

SCHEMBL3176910

Cc1ccc(-c2cc(F)ccc2OCC2CNCCO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 7/20 0.54
▸ SLC6A2 P23975 5/20 0.54
▸ HTR2A P28223 4/20 0.54
▸ SLC6A3 Q01959 4/20 0.54
▸ HTR2B P41595 2/20 0.54
▸ ADRB2 P07550 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ ADRA2C P18825 1/20 0.54
▸ HRH1 P35367 3/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ EPHA2 P29317 2/20 0.48
▸ KDM1A O60341 2/20 0.42
▸ SGK1 O00141 2/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ MKNK1 Q9BUB5 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
SCHEMBL3176904 1.00 SLC6A4 (0.54) SLC6A4SLC6A2HTR2ASLC6A3HTR2B
SCHEMBL3184197 1.00 SLC6A4 (0.54) SLC6A4SLC6A2HTR2ASLC6A3HTR2B
SCHEMBL3182867 0.93 SLC6A4 (0.57) SLC6A4SLC6A2HTR2ASLC6A3HTR2B
SCHEMBL3191094 0.93 SLC6A4 (0.57) SLC6A4SLC6A2HTR2ASLC6A3HTR2B
SCHEMBL3182879 0.93 SLC6A4 (0.57) SLC6A4SLC6A2HTR2ASLC6A3HTR2B
SCHEMBL3162908 0.79 SLC6A4 (0.59) SLC6A4SLC6A2HTR2ASLC6A3HTR2B
Hydrochloric Acid SCHEMBL4510800 0.76 SLC6A4 (0.58) SLC6A4SLC6A2HTR2ASLC6A3HTR2B
Hydrochloric Acid SCHEMBL3327587 0.75 SLC6A4 (0.49) SLC6A4SLC6A2HTR2ASLC6A3HTR2B
SCHEMBL3175037 0.75 SLC6A4 (0.70) SLC6A4SLC6A2HTR2ASLC6A3HTR2B
SCHEMBL15062036 0.74 SLC6A4 (0.77) SLC6A4SLC6A2HTR2ASLC6A3HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745029-A1 SUBSTITUTED MORPHOLINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2007-01-24 — — EP claimed
WO-2005105763-A1 SUBSTITUTED MORPHOLINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 — — WO claimed
US-20050245519-A1 Substituted morpholine compounds for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-11-03 — — US claimed
US-7659394-B2 Substituted morpholine compounds for the treatment of central nervous system disorders PFIZER INC (US) 2010-02-09 — — US disclosed
US-7659394-B2 Substituted morpholine compounds for the treatment of central nervous system disorders PFIZER INC (US) 2010-02-09 — — US disclosed
US-7659394-B2 Substituted morpholine compounds for the treatment of central nervous system disorders PFIZER INC (US) 2010-02-09 — — US disclosed
EP-1745029-A1 SUBSTITUTED MORPHOLINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2007-01-24 — — EP disclosed
WO-2005105763-A1 SUBSTITUTED MORPHOLINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 — — WO disclosed
US-20050245519-A1 Substituted morpholine compounds for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-11-03 — — 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-20050245519-A1 Substituted morpholine compounds for the treatment of central nervous system disorders CNR1, OPRM1, HCRTR1 SLC6A4 235/4885SLC6A2 124/4885HTR2A 72/4885

“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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