SCHEMBL5837282

SCHEMBL5837282

CC(C)(N)c1cc(N)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.57
SLC6A4 P31645 18/20 0.57
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
KCNH2 Q12809 16/20 0.43
HSP90AA1 P07900 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
Hydrochloric Acid SCHEMBL5837782 0.99 HTR2A (0.56) HTR2ASLC6A4CYP3A4TSHRKCNH2
SCHEMBL6740272 0.82 HTR2A (0.47) HTR2ASLC6A4KCNH2HSP90AA1SLC6A2
SCHEMBL11460671 0.79 HTR2A (0.63) HTR2ASLC6A4CYP3A4TSHRKCNH2
SCHEMBL13857896 0.77 HTR2A (0.61) HTR2ASLC6A4CYP3A4TSHRKCNH2
SCHEMBL22069600 0.75 HTR2A (0.58) HTR2ASLC6A4CYP3A4TSHRKCNH2
SCHEMBL5837285 0.72 SLC6A4 (1.00) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL27536429 0.72 ALDH1A1 (0.47) CYP3A4TSHR
SCHEMBL28288101 0.72 HTR2A (0.55) HTR2ASLC6A4CYP3A4TSHRKCNH2
SCHEMBL632533 0.71 MAOA (0.61) HTR2ASLC6A4CYP3A4TSHRHSP90AA1
SCHEMBL31287824 0.71 MAOA (0.61) HTR2ASLC6A4CYP3A4TSHRHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084165-B2 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC (US) 2006-08-01 US disclosed
US-20040048856-A1 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC 2004-03-11 US disclosed
US-20020143003-A1 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC. 2002-10-03 US disclosed
EP-1154984-A1 INHIBITORS FOR UPTAKE OF SEROTONINE, DOPAMINE OR NOREPINEPHRINE Pfizer Products Inc. (US) 2001-11-21 EP disclosed
WO-2000050380-A1 MONOAMINE REUPTAKE INHIBITORS FOR TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2000-08-31 WO 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-20020143003-A1 Monoamine reuptake inhibitors for treatment of CNS disorders SLC6A2, SLC6A4, SLC6A3 HTR2A 24/4885SLC6A4 2/4885CYP3A4 290/4885
US-20040048856-A1 Monoamine reuptake inhibitors for treatment of CNS disorders SLC6A2, SLC6A3, SLC18A2 HTR2A 14/4885SLC6A4 4/4885CYP3A4 747/4885

“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.