SCHEMBL3208147

SCHEMBL3208147

NCCCCN1CCN(C2Cc3ccccc3OO2)CC1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
CYP2D6 P10635 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
SCHEMBL10564923 0.78 HRH3 (0.42) SIGMAR1CYP2D6
SCHEMBL11139471 0.75 TSHR (0.43) SIGMAR1
SCHEMBL9034462 0.73 DRD2 (0.43) SIGMAR1
SCHEMBL5945677 0.73 HTR2C (0.38) SIGMAR1
SCHEMBL3204729 0.72 SIGMAR1 (0.45) SIGMAR1CYP2D6
SCHEMBL6160907 0.69 P2RX7 (0.56) SIGMAR1
SCHEMBL25642096 0.69 HPGD (0.60) SIGMAR1
SCHEMBL6163189 0.68 HTR2C (0.57) SIGMAR1
SCHEMBL6170302 0.66 SIGMAR1 (0.53) SIGMAR1CYP2D6
SCHEMBL5068319 0.65 ALDH1A1 (0.61) SIGMAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 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 (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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 SIGMAR1 109/4885CYP2D6 896/4885

“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.