SCHEMBL19941479

SCHEMBL19941479

NCCOc1ccnc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 2/20 0.56
▸ LOXL2 Q9Y4K0 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ FERMT2 Q96AC1 1/20 0.50
▸ NCF1 P14598 5/20 0.48
▸ HTR1A P08908 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ ITK Q08881 1/20 0.41

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
SCHEMBL19941005 0.88 HTR1B (0.59) HTR1BLOXL2KDM4ENCF1HTR1A
SCHEMBL31175311 0.86 LOXL2 (0.50) HTR1BLOXL2FERMT2NCF1HTR1A
SCHEMBL21816316 0.86 LOXL2 (0.50) HTR1BLOXL2FERMT2NCF1HTR1A
SCHEMBL12410468 0.85 LOXL2 (0.63) LOXL2KDM4EFERMT2NCF1HTR1A
SCHEMBL2333830 0.85 NCF1 (0.51) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL23412273 0.84 NCF1 (0.57) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL23412842 0.84 NCF1 (0.57) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL23412835 0.84 NCF1 (0.57) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL23413034 0.84 NCF1 (0.57) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL23412358 0.84 NCF1 (0.57) LOXL2NCF1HTR1AADRA1DADRA1A

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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 — — 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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 HTR1B 2753/4885LOXL2 4490/4885KDM4E 3457/4885

“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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