SCHEMBL6797367

SCHEMBL6797367

O=C(c1ccc(F)cc1)C1CCN(CC2COc3ccc4nocc4c3O2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.43
HTR2C P28335 5/20 0.43
HRH1 P35367 1/20 0.43
HTR1A P08908 4/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
DRD2 P14416 2/20 0.41
HTR2B P41595 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
SCHEMBL6906137 0.86 HTR1A (0.39) HTR2AHTR2CHRH1HTR1ALMNA
SCHEMBL6906280 0.84 HTR1A (0.61) HTR2AHTR2CHTR1ASMN1; SMN2DRD2
SCHEMBL6782174 0.81 HTR2A (0.51) HTR2AHTR2CHRH1HTR1ALMNA
SCHEMBL11107203 0.78 ADRA2A (0.55) HTR2AHTR2CHRH1HTR1ALMNA
Hydrochloric Acid SCHEMBL11104894 0.77 HTR2C (0.54) HTR2AHTR2CHRH1HTR1ALMNA
SCHEMBL6321111 0.77 HTR2C (0.45) HTR2AHTR2CHRH1HTR1ALMNA
SCHEMBL6990695 0.76 DRD2 (0.48) HTR2AHTR2CHRH1LMNASMN1; SMN2
SCHEMBL7038063 0.75 HTR2A (0.42) HTR2AHTR2CHRH1HTR1ALMNA
SCHEMBL6796362 0.75 HTR1A (0.49) HTR1A
SCHEMBL11107814 0.73 DRD2 (0.56) HTR2AHTR2CLMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800642-B2 SUCH AS BENZYL-(-7,8-DIHYDRO-2,6,9-TRIOXA-3-AZA-CYCLOPENTA(A)NAPHTHALEN-8-YLMETHYL) -AMINE; FOR TREATMENT OF DRUG DEPENDENCE/ADDICTION, BIPOLAR DISORDER, PARKINSON'S DISEASE, LEVODOPA INDUCED PSYCHOSES OR DYSKINESIAS WYETH 2004-10-05 US claimed
US-20020198217-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-2,6,9-trioxa-3-aza-cyclopenta[a]naphthalene WYETH (US) 2002-12-26 US claimed
US-6800642-B2 SUCH AS BENZYL-(-7,8-DIHYDRO-2,6,9-TRIOXA-3-AZA-CYCLOPENTA(A)NAPHTHALEN-8-YLMETHYL) -AMINE; FOR TREATMENT OF DRUG DEPENDENCE/ADDICTION, BIPOLAR DISORDER, PARKINSON'S DISEASE, LEVODOPA INDUCED PSYCHOSES OR DYSKINESIAS WYETH 2004-10-05 US disclosed
US-20020198217-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-2,6,9-trioxa-3-aza-cyclopenta[a]naphthalene WYETH (US) 2002-12-26 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-20020198217-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-2,6,9-trioxa-3-aza-cyclopenta[a]naphthalene SNCA, SYNJ2, PARK7 HTR2A 46/4885HTR2C 36/4885HRH1 3447/4885

“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.