SCHEMBL7253277

SCHEMBL7253277

OC1(c2ccc3ccn(CCNC4CC4)c3c2)CCSCC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.64
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7253601 0.77 HTR1D (0.89) HTR1DNOS3NOS1NOS2
SCHEMBL7253426 0.76 HTR1D (0.79) HTR1DNOS3NOS1
SCHEMBL7252919 0.69 HTR1D (0.42) HTR1DMTNR1AMTNR1BNOS3NOS1
SCHEMBL7253516 0.65 HTR1D (0.77) HTR1DNOS3NOS1NOS2
SCHEMBL7252909 0.65 HTR1D (0.61) HTR1DNOS3NOS1NOS2
SCHEMBL7253548 0.64 HTR1D (0.68) HTR1DNOS3NOS1
SCHEMBL7253250 0.64 HTR1D (1.00) HTR1DNOS3NOS1NOS2
SCHEMBL26673423 0.64 HTR1D (0.52) HTR1DSMN1; SMN2HSD17B10
SCHEMBL7253280 0.62 HTR1D (0.36) HTR1D
SCHEMBL2265401 0.57 NOS3 (0.48) NOS3NOS1NOS2

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-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
EP-1140074-A1 INDOLE AND INDOLIZIDINE DERIVATIVES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2001-10-10 EP disclosed
WO-2000038677-A1 INDOLE AND INDOLIZIDINE DERIVATIVES FOR THE TREATMENT OF MIGRAINE ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-07-06 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 (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 128/4885MTNR1A 288/4885MTNR1B 329/4885

“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.