SCHEMBL7122344

SCHEMBL7122344

COc1cccc2c1OC(CN1CC=C(c3c[nH]c4ccccc34)CC1)C=C2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.55
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
ALOX15 P16050 1/20 0.52
DRD2 P14416 5/20 0.52
HTR2A P28223 4/20 0.52
SLC6A4 P31645 4/20 0.50
HTT P42858 1/20 0.48
MAPT P10636 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
SCHEMBL7132089 1.00 HTR1A (0.55) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL7124437 0.90 HTR1A (0.68) HTR1ADRD2HTR2ASLC6A4
SCHEMBL7129987 0.90 HTR1A (0.68) HTR1ADRD2HTR2ASLC6A4
SCHEMBL7121689 0.80 HTR1A (0.61) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL7131799 0.80 HTR1A (0.61) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL5844626 0.80 HTR1A (0.67) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL5474628 0.71 HTR1A (1.00) HTR1A
SCHEMBL7458916 0.71 HTR1A (0.62) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL7120497 0.71 HTR1A (0.67) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL7120528 0.71 HTR1A (0.67) HTR1AKDM4ELMNAALOX15DRD2

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-6667322-B2 Useful for treatment of diseases such as obsessive compulsive disorder, panic attacks, anxiety, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-12-23 US claimed
US-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole WYETH 2003-05-29 US claimed
US-6667322-B2 Useful for treatment of diseases such as obsessive compulsive disorder, panic attacks, anxiety, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-12-23 US disclosed
US-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole WYETH 2003-05-29 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-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole TPH1, HTR1D, HTR1A HTR1A 3/4885KDM4E 1571/4885LMNA 3052/4885

“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.