SCHEMBL13089316

SCHEMBL13089316

O=C(CCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.66
▸ HTR7 P34969 4/20 0.62
▸ BCHE P06276 2/20 0.60
▸ ACHE P22303 2/20 0.60
▸ CCR3 P51677 1/20 0.60
▸ KMT2A Q03164 2/20 0.56
▸ DRD2 P14416 1/20 0.56

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
SCHEMBL4512612 0.89 ALDH1A1 (0.71) ALDH1A1HTR7BCHEACHEKMT2A
Hydrochloric Acid SCHEMBL3844581 0.88 ALDH1A1 (0.69) ALDH1A1HTR7BCHEACHEKMT2A
SCHEMBL5373264 0.86 ALDH1A1 (0.67) ALDH1A1HTR7BCHEACHEKMT2A
SCHEMBL11834324 0.86 TSHR (0.67) HTR7KMT2ADRD2
SCHEMBL11077909 0.85 DRD2 (0.58) ALDH1A1HTR7KMT2ADRD2
SCHEMBL5182996 0.84 ALDH1A1 (0.76) ALDH1A1HTR7KMT2ADRD2
SCHEMBL2834503 0.83 ALDH1A1 (0.79) ALDH1A1HTR7KMT2ADRD2
SCHEMBL11756285 0.82 HTR1A (0.70) HTR7DRD2
SCHEMBL6657455 0.82 CCR3 (0.85) CCR3
SCHEMBL7385393 0.82 DRD2 (0.58) ALDH1A1HTR7KMT2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099761-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-10-27 — — EP disclosed
US-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES VILLAPHARMA RESEARCH S.L. (ES) 2010-03-11 — — US disclosed
US-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES VILLAPHARMA RESEARCH S.L. (ES) 2010-03-11 — — US disclosed
WO-2008068272-A2 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 — — WO 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-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 ALDH1A1 2506/4885HTR7 1601/4885BCHE 1998/4885

“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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