SCHEMBL2447095

SCHEMBL2447095

CCN(CC)CCNC(=O)c1cn2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
DRD2 P14416 9/20 0.53
DRD3 P35462 9/20 0.53
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
DRD4 P21917 3/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
ACKR3 P25106 1/20 0.48
HPGD P15428 1/20 0.48
METTL3 Q86U44 2/20 0.47

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
SCHEMBL31040086 0.86 MAPT (0.68) CYP1A2CYP3A4MAPTNPC1RAB9A
SCHEMBL2445483 0.84 ACKR3 (0.50) KDM4EALDH1A1SMN1; SMN2ACKR3HPGD
Hydrochloric Acid SCHEMBL2445618 0.83 ACKR3 (0.49) CYP3A4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL13426252 0.82 ACKR3 (0.50) CYP3A4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL21396319 0.79 MAPT (0.64) CYP1A2CYP3A4MAPTNPC1RAB9A
SCHEMBL169467 0.78 MAPT (0.76) CYP1A2CYP3A4MAPTNPC1RAB9A
SCHEMBL4620787 0.76 MAPT (1.00) CYP1A2CYP3A4MAPTNPC1RAB9A
SCHEMBL15924280 0.76 MAPT (0.72) CYP1A2CYP3A4MAPTNPC1RAB9A
SCHEMBL21378607 0.76 CYP1A2 (0.68) CYP1A2CYP3A4MAPTNPC1RAB9A
SCHEMBL2445651 0.74 POLR1A (0.49) CYP1A2KDM4EALDH1A1SMN1; SMN2HPGD

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 7 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 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
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

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 CYP1A2 1084/4885CYP3A4 2413/4885MAPT 4014/4885

“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.