SCHEMBL2444395

SCHEMBL2444395

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.57
▸ HRH3 Q9Y5N1 1/20 0.57
▸ HTR2C P28335 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.52
▸ MAPT P10636 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CNR1 P21554 3/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ PYGL P06737 2/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ EGFR P00533 1/20 0.45

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
Hydrochloric Acid SCHEMBL2445525 0.99 HRH4 (0.56) HRH4HRH3HTR2CKDM4EMAPT
SCHEMBL13456154 0.86 HDAC1 (0.60) HRH4HRH3HTR2CKDM4EMAPT
SCHEMBL13426234 0.85 HRH4 (0.57) HRH4HRH3HTR2CKDM4EMAPT
SCHEMBL12893076 0.85 TP53 (0.48) HRH4HRH3HTR2CKDM4EMAPT
SCHEMBL8947049 0.84 HTR2C (0.76) HTR2CKDM4EALDH1A1DRD3DRD2
SCHEMBL12330689 0.81 KDM4E (0.58) HRH4HRH3KDM4EMAPTALDH1A1
SCHEMBL19453004 0.79 ALDH1A1 (0.52) HRH4HRH3HTR2CKDM4EMAPT
SCHEMBL2442625 0.79 HRH4 (0.50) HRH4HRH3KDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL2444782 0.78 HRH4 (0.49) HRH4HRH3KDM4EALDH1A1ALOX15
SCHEMBL2442620 0.77 LMNA (0.58) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046789-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INST NAT SANTE RECH MED (FR) 2012-09-05 — — EP claimed
EP-2046789-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INST NAT SANTE RECH MED (FR) 2012-09-05 — — EP disclosed
EP-2046789-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INST NAT SANTE RECH MED (FR) 2012-09-05 — — EP disclosed
EP-2363399-A1 Labelled analogues of halobenzamides as radiopharmaceuticals INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-09-07 — — EP disclosed
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
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
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 HRH4 3/4885HRH3 1/4885HTR2C 672/4885

“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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