SCHEMBL13267473

SCHEMBL13267473

O=C1CN(Cc2ccc(-c3ccc(CN4CCOCC4)cc3)cc2)C(=O)CN1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.60
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KCNJ1 P48048 1/20 0.44
▸ AOC3 Q16853 1/20 0.42
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HIF1A Q16665 1/20 0.41
▸ EPAS1 Q99814 1/20 0.41
▸ HTT P42858 2/20 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
SCHEMBL13244713 0.89 MMP2 (0.47) HRH3
SCHEMBL18023314 0.81 HRH3 (0.64) HRH3NPC1RAB9AATMHPGD
SCHEMBL13984676 0.79 HRH3 (0.54) HRH3NPC1RAB9AATMHPGD
SCHEMBL13266880 0.77 HRH3 (0.61) HRH3HPGDSMN1; SMN2AKR1C3
SCHEMBL13244741 0.74 DPP4 (0.39) HRH3HDAC1
SCHEMBL15467001 0.72 HRH3 (0.87) HRH3HPGDSMN1; SMN2ALDH1A1LMNA
4-(Biphenyl-4-Ylmethyl)Morpholine SCHEMBL1691308 0.72 HRH3 (0.85) HRH3NPC1RAB9AATMSMN1; SMN2
SCHEMBL254490 0.72 HRH3 (0.72) HRH3NPC1RAB9AHPGDALDH1A1
SCHEMBL24061141 0.70 HRH3 (0.82) HRH3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13266893 0.70 HRH3 (0.82) HRH3NPC1RAB9AATMSMN1; SMN2

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-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HRH3 4192/4885NPC1 299/4885RAB9A 509/4885

“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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