SCHEMBL7794645

SCHEMBL7794645

NCCC([C]=O)Cc1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ GFER P55789 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SOAT1 P35610 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ ERAP2 Q6P179 1/20 0.33
▸ MAOB P27338 3/20 0.32
▸ MAOA P21397 2/20 0.32
▸ DPP4 P27487 2/20 0.32
▸ CA2 P00918 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ FDPS P14324 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL19812641 0.83 EPHX1 (0.43) LOXL2ALDH1A1ANPEPMAOA
SCHEMBL19812643 0.74 TAAR1 (0.47) ALDH1A1DPP4DPP8DPP9MAPT
SCHEMBL9542370 0.73 HTR2A (0.46) LOXL2MAOA
SCHEMBL2269387 0.72 GFER (0.42) LOXL2GFERALDH1A1CYP3A4TSHR
SCHEMBL242929 0.72 GFER (0.42) LOXL2GFERALDH1A1CYP3A4TSHR
SCHEMBL242930 0.72 GFER (0.42) LOXL2GFERALDH1A1CYP3A4TSHR
SCHEMBL8696247 0.71 GFER (0.41) LOXL2GFERALDH1A1CYP3A4TSHR
SCHEMBL5321900 0.70 — —
SCHEMBL19812666 0.67 EPHX1 (0.46) LOXL2ANPEPMAOA
SCHEMBL5049235 0.67 EPHX1 (0.46) LOXL2ANPEPMAOA

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-20010020040-A1 Hyperforin derivatives, use thereof and formulations containing them INDENA S.P.A. (IT) 2001-09-06 — — US claimed

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-20010020040-A1 Hyperforin derivatives, use thereof and formulations containing them CRH, FOS, VIP LOXL2 4305/4885GFER 3629/4885ALDH1A1 2180/4885

“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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