SCHEMBL7253657

SCHEMBL7253657

c1cc2ccn(CCN3CCCC3)c2cc1C1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.67
HTR7 P34969 17/20 0.50
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
HTR6 P50406 1/20 0.47

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
SCHEMBL7253588 0.80 HTR1D (0.60) HTR1DHTR7KCNH2HRH3HTR6
SCHEMBL7253663 0.80 HTR1D (1.00) HTR1DHTR6
SCHEMBL30510605 0.77 HTR1D (0.66) HTR1DHTR7KCNH2HRH3
SCHEMBL429679 0.73 NOS3 (0.48) HTR7
SCHEMBL22421082 0.73 HTR7 (0.67) HTR7
SCHEMBL18227603 0.73 HTR7 (0.67) HTR7HTR6
SCHEMBL13783306 0.73 HTR7 (0.69) HTR7
SCHEMBL7253548 0.73 HTR1D (0.68) HTR1DHTR7HRH3
SCHEMBL1122373 0.73 HTR7 (0.57) HTR7
SCHEMBL12253689 0.72 HTR7 (0.56) HTR7

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
US-6635639-B2 Treatment or diagnosis of central nervous system conditions NPS ALLELIX CORP. (CA) 2003-10-21 US disclosed
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 US disclosed
US-6380242-B1 FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS NPS ALLELIX CORP. (CA) 2002-04-30 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-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine CNR1, CNR2, KCNH1 HTR1D 128/4885HTR7 73/4885KCNH2 7/4885

“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.