SCHEMBL7121698

SCHEMBL7121698

C1=C(c2c[nH]c3ccccc23)CCN(CC2CCc3ccccc3O2)C1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.71
KDM4E B2RXH2 3/20 0.58
LMNA P02545 3/20 0.58
ALOX15 P16050 3/20 0.58
DRD2 P14416 6/20 0.56
HTR2A P28223 4/20 0.56
HTT P42858 2/20 0.56
SLC6A4 P31645 4/20 0.55
POLB P06746 1/20 0.50
HTR6 P50406 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SIGMAR1 Q99720 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 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
SCHEMBL7122366 0.90 HTR1A (0.58) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL7120812 0.89 HTR1A (0.59) HTR1ADRD2HTR2ASLC6A4HTR6
SCHEMBL7121689 0.84 HTR1A (0.61) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL7131799 0.84 HTR1A (0.61) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL7911460 0.83 HTR1A (1.00) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL7214663 0.81 KDM4E (0.61) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL7219553 0.80 KDM4E (0.67) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL5844673 0.78 HTR1A (0.69) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL6108012 0.78 HTR1A (0.65) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL5843637 0.78 HTR1A (0.63) 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.