SCHEMBL3705622

SCHEMBL3705622

CCCn1cc(CCCN)c2cc(F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ICMT O60725 12/20 0.55
HTR6 P50406 2/20 0.46
MPO P05164 3/20 0.45
KDM4C Q9H3R0 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 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
SCHEMBL5241306 0.83 ADRB2 (0.54) ICMTHTR6MPO
SCHEMBL5239371 0.79 ADRB2 (0.52) ICMTHTR6MPO
SCHEMBL15792328 0.77 ICMT (0.49) ICMTHTR6KDM4CCNR1CNR2
SCHEMBL7734107 0.76 ICMT (0.50) ICMTHTR6MPO
SCHEMBL15536096 0.75 CNR2 (0.53) ICMTCNR1CNR2
SCHEMBL8233006 0.75 HTR6 (0.48) ICMTHTR6
SCHEMBL12874879 0.75 HTR1A (0.51) ICMTHTR6
SCHEMBL5923660 0.74 ADRB2 (0.64) ICMTHTR6MPO
Cadaverine Tartrate SCHEMBL3703327 0.73 LMNA (0.45) ICMTMPO
Hydrochloric Acid SCHEMBL16592500 0.73 ADRB2 (0.62) ICMTHTR6MPO

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-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS UNIVERSITE LIBRE DE BEUXELLES (BE) 2012-05-17 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-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS MPO, SERPINB1, MAOA ICMT 2029/4885HTR6 228/4885MPO 1/4885

“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.