SCHEMBL3535473

SCHEMBL3535473

N[C@@H]1CCCc2cc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.45
HTR2C P28335 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
SRD5A1 P18405 4/20 0.42
ACHE P22303 2/20 0.41
SRD5A2 P31213 2/20 0.40
KDM4C Q9H3R0 1/20 0.38
AADAT Q8N5Z0 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
F10 P00742 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
AGTR1 P30556 1/20 0.37

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
SCHEMBL22652225 1.00 KDM1A (0.45) KDM1AHTR2CHTR2AHTR2BSRD5A1
SCHEMBL29443577 0.89 SRD5A1 (0.47) KDM1AHTR2CHTR2AHTR2BSRD5A1
SCHEMBL1859026 0.89 SRD5A1 (0.47) KDM1AHTR2CHTR2AHTR2BSRD5A1
SCHEMBL1857673 0.89 SRD5A1 (0.47) KDM1AHTR2CHTR2AHTR2BSRD5A1
SCHEMBL29443582 0.89 SRD5A1 (0.47) KDM1AHTR2CHTR2AHTR2BSRD5A1
SCHEMBL192318 0.89 SRD5A1 (0.47) KDM1AHTR2CHTR2AHTR2BSRD5A1
SCHEMBL1719705 0.87 ACHE (0.49) KDM1AHTR2CHTR2AHTR2BACHE
Hydrochloric Acid SCHEMBL26664227 0.87 SRD5A1 (0.46) KDM1AHTR2CHTR2AHTR2BSRD5A1
SCHEMBL1061934 0.87 ACHE (0.49) KDM1AHTR2CHTR2AHTR2BACHE
Hydrochloric Acid SCHEMBL17579539 0.87 SRD5A1 (0.46) KDM1AHTR2CHTR2AHTR2BSRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 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-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S KDM1A 1523/4885HTR2C 893/4885HTR2A 1365/4885

“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.