SCHEMBL6049201

SCHEMBL6049201

CN(c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(C2CCCN2)c1)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 5/20 0.40
▸ SLC6A4 P31645 6/20 0.39
▸ SLC6A3 Q01959 4/20 0.39
▸ SLC6A2 P23975 5/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ABL1 P00519 2/20 0.36
▸ HTR2C P28335 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ HTR6 P50406 1/20 0.33

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
SCHEMBL6049203 0.81 KIF11 (0.48) SLC6A4SLC6A3SLC6A2MEN1KMT2A
Hydrochloric Acid SCHEMBL7522746 0.80 KIF11 (0.47) TACR1SLC6A4SLC6A3SLC6A2MEN1
SCHEMBL6049210 0.77 SCD5 (0.38) SLC6A4SLC6A3SLC6A2BRD4HTR2A
Hydrochloric Acid SCHEMBL6049206 0.77 PTPN1 (0.43) TACR1SLC6A4SLC6A3SLC6A2MEN1
SCHEMBL6049218 0.76 HSPB1 (0.41) MEN1KMT2AHTR2C
SCHEMBL21009692 0.68 MEN1 (0.48) TACR1SLC6A4SLC6A3MEN1KMT2A
SCHEMBL19580559 0.67 HTR2C (0.48) TACR1SLC6A3MEN1KMT2AHTR2C
SCHEMBL16562301 0.66 MEN1 (0.46) TACR1SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7810246 0.66 TACR1 (0.81) TACR1SLC6A3HTR2CHTR2ACYP2D6
SCHEMBL7810248 0.66 TACR1 (0.81) TACR1SLC6A3HTR2CHTR2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1184372-B1 Phenoxyphenylheterocycle derivatives as selective serotonin reuptake inhibitors (SSRIs) PFIZER LTD (GB) 2006-04-26 — — EP claimed
US-6630504-B2 Activity as selective serotonin re- uptake inhibitors (SSRIs); for therapy and prophylaxis of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder, post-traumatic stress disorder, sexual dysfunction PFIZER INC. 2003-10-07 — — US claimed
US-20020183303-A1 Phenoxyphenylheterocyclyl derivatives as SSRIs PFIZER INC. 2002-12-05 — — US claimed
EP-1184372-A1 Phenoxyphenylheterocycle derivatives as selective serotonin reuptake inhibitors (SSRIs) Pfizer Limited (GB) 2002-03-06 — — EP claimed
EP-1184372-B1 Phenoxyphenylheterocycle derivatives as selective serotonin reuptake inhibitors (SSRIs) PFIZER LTD (GB) 2006-04-26 — — EP disclosed
US-6630504-B2 Activity as selective serotonin re- uptake inhibitors (SSRIs); for therapy and prophylaxis of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder, post-traumatic stress disorder, sexual dysfunction PFIZER INC. 2003-10-07 — — US disclosed
US-20020183303-A1 Phenoxyphenylheterocyclyl derivatives as SSRIs PFIZER INC. 2002-12-05 — — US disclosed
EP-1184372-A1 Phenoxyphenylheterocycle derivatives as selective serotonin reuptake inhibitors (SSRIs) Pfizer Limited (GB) 2002-03-06 — — 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 (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-20020183303-A1 Phenoxyphenylheterocyclyl derivatives as SSRIs CRHR1, NR3C1, HTR6 TACR1 71/4885SLC6A4 67/4885SLC6A3 93/4885

“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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