SCHEMBL7101414

SCHEMBL7101414

N#Cc1cccc(C2CC2CO)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.50
▸ HTR2B P41595 5/20 0.50
▸ SLC6A4 P31645 3/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ KDM1A O60341 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ DRD2 P14416 6/20 0.44
▸ DRD3 P35462 6/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ HTR2A P28223 3/20 0.43
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CASP1 P29466 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
SCHEMBL7101418 1.00 HTR2C (0.50) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL23995533 0.84 HTR2C (0.50) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL2238682 0.80 SLC6A4 (0.47) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL2238686 0.80 SLC6A4 (0.47) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL12350471 0.80 SLC6A4 (0.47) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL4095337 0.75 DRD2 (0.52) KDM1AMAOAMAOBDRD2DRD3
SCHEMBL14602807 0.75 HTR2C (0.68) HTR2CHTR2BSLC6A4SLC6A3HTR2A
SCHEMBL7959436 0.75 HTR2C (0.68) HTR2CHTR2BSLC6A4SLC6A3KDM1A
SCHEMBL7959439 0.75 HTR2C (0.68) HTR2CHTR2BSLC6A4SLC6A3KDM1A
SCHEMBL27033783 0.75 HTR2C (0.70) HTR2CHTR2BSLC6A4SLC6A2SLC6A3

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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 — — 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI HTR2C 1892/4885HTR2B 1860/4885SLC6A4 1964/4885

“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.

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