SCHEMBL13440314

SCHEMBL13440314

CN1CCCN(CCCCC(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.61
DRD3 P35462 3/20 0.61
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTR1A P08908 3/20 0.54
POLB P06746 1/20 0.54
CHKA P35790 1/20 0.53
TSHR P16473 2/20 0.52
HPGD P15428 1/20 0.52
DRD2 P14416 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL13443097 0.99 HRH3 (0.60) HRH3DRD3KDM4EL3MBTL1HTR1A
SCHEMBL28919774 0.91 HRH3 (0.67) HRH3DRD3KDM4EHTR1APOLB
SCHEMBL13089321 0.89 KDM4E (0.66) HRH3KDM4EL3MBTL1HTR1AHDAC1
SCHEMBL12123652 0.86 HTR1A (0.69) HRH3DRD3KDM4EHTR1APOLB
SCHEMBL13089319 0.82 KDM4E (0.53) HRH3DRD3KDM4EL3MBTL1HTR1A
SCHEMBL13089688 0.81 HTR1A (0.54) HRH3DRD3KDM4EL3MBTL1HTR1A
SCHEMBL11982948 0.81 HRH2 (0.56) HRH3DRD3KDM4EL3MBTL1HTR1A
SCHEMBL7389420 0.81 HDAC1 (0.56) HRH3DRD3KDM4EL3MBTL1HTR1A
SCHEMBL10257007 0.81 HTR1A (0.68) KDM4EHTR1APOLBHPGD
SCHEMBL1332779 0.79 ALDH1A1 (0.68) HTR1APOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069366-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (NJ) 2010-03-18 US disclosed
US-20100069366-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (NJ) 2010-03-18 US 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-2008068266-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO 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 (2 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-20100069366-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 HRH3 1327/4885DRD3 1100/4885KDM4E 3675/4885
US-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 HRH3 1015/4885DRD3 1413/4885KDM4E 4303/4885

“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.