SCHEMBL13456154

SCHEMBL13456154

CCN(CC)CCNC(=O)c1cc2cc(C)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.60
▸ HDAC2 Q92769 1/20 0.60
▸ HRH4 Q9H3N8 1/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.58
▸ HTR2C P28335 1/20 0.55
▸ TP53 P04637 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ PIN1 Q13526 1/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ CNR1 P21554 2/20 0.50
▸ DRD2 P14416 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
SCHEMBL22516959 0.87 HRH4 (0.75) HDAC1HDAC2HRH4HRH3HTR2C
SCHEMBL13426234 0.86 HRH4 (0.57) HDAC1HDAC2HRH4HRH3HTR2C
SCHEMBL2444395 0.86 HRH4 (0.57) HDAC1HDAC2HRH4HRH3HTR2C
Hydrochloric Acid SCHEMBL2445525 0.85 HRH4 (0.56) HDAC1HDAC2HRH4HRH3HTR2C
SCHEMBL8947049 0.85 HTR2C (0.76) HDAC1HDAC2HTR2CKDM4EALDH1A1
SCHEMBL14845695 0.83 HDAC1 (0.66) HDAC1HDAC2HRH4HRH3TP53
SCHEMBL13753366 0.83 RAB9A (0.62) HDAC1HDAC2HRH4TP53KDM4E
SCHEMBL19453004 0.80 ALDH1A1 (0.52) HDAC2HRH4HRH3HTR2CKDM4E
SCHEMBL24197013 0.80 HDAC1 (0.62) HDAC1HDAC2HRH4HRH3TP53
SCHEMBL15746114 0.77 PIN1 (0.66) HDAC1HDAC2HRH4TP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-03-11 — — US disclosed
WO-2008012782-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-01-31 — — 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-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS HRH3, H1-3, HRH4 HDAC1 164/4885HDAC2 382/4885HRH4 3/4885

“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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