SCHEMBL17987100

SCHEMBL17987100

CN1CCN(c2ccccc2-c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.62
▸ HTR7 P34969 3/20 0.62
▸ HTR2A P28223 1/20 0.62
▸ HTR5A P47898 1/20 0.62
▸ HTR6 P50406 1/20 0.62
▸ ADRA2C P18825 1/20 0.56
▸ MAPK1 P28482 2/20 0.54
▸ EGFR P00533 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ DRD2 P14416 3/20 0.53
▸ DRD3 P35462 2/20 0.53
▸ DHFR P00374 1/20 0.53
▸ POLB P06746 1/20 0.49
▸ MET P08581 1/20 0.49
▸ HRH4 Q9H3N8 1/20 0.48

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
SCHEMBL8266808 0.84 ADRA2C (0.57) HTR1AHTR7HTR2AHTR5AHTR6
SCHEMBL6700114 0.83 CHKA (0.53) HTR1AHTR7HTR2AHTR5AHTR6
SCHEMBL6224706 0.82 ALDH1A1 (0.57) HTR1AHTR7HTR2AHTR5AHTR6
SCHEMBL5352962 0.82 HTR7 (0.69) HTR1AHTR7HTR2AHTR5AHTR6
SCHEMBL20428066 0.81 HTR7 (0.62) HTR1AHTR7HTR2AHTR5AHTR6
SCHEMBL13039956 0.80 HTR7 (0.67) HTR1AHTR7HTR2AHTR5AHTR6
SCHEMBL27876080 0.80 HTR7 (0.67) HTR1AHTR7HTR2AHTR5AHTR6
SCHEMBL328223 0.80 MAPT (0.58) ADRA2CMAPK1LMNAMAPTKMT2A
SCHEMBL15743195 0.79 MAPT (0.61) HTR1AHTR7HTR2AHTR5AHTR6
SCHEMBL6226610 0.78 HTR1A (0.46) HTR1AHTR7HTR2AHTR5AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 — — EP disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 — — US disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — 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 (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-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA HTR1A 125/4885HTR7 248/4885HTR2A 238/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA HTR1A 125/4885HTR7 248/4885HTR2A 238/4885

“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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