SCHEMBL5488104

SCHEMBL5488104

O=C(NCCCN1CCCCC1)C(=O)NCCCN1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.54
NPC1 O15118 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 2/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
RAD52 P43351 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
PKM P14618 1/20 0.50
ACHE P22303 1/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL17721274 0.89 NPC1 (0.57) KDM4ELMNAGAANPC1SMN1; SMN2
SCHEMBL3896010 0.88 EPHX1 (0.54) KDM4EGAASMN1; SMN2CYP1A2MAPK1
SCHEMBL9990508 0.86 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2CYP1A2MAPK1RAD52
SCHEMBL9635906 0.86 NPC1 (0.54) KDM4ELMNAGAANPC1SMN1; SMN2
SCHEMBL17525452 0.85 KDM4E (0.54) KDM4EGAASMN1; SMN2CYP1A2MAPK1
SCHEMBL25477818 0.84 RAD52 (0.55) KDM4EGAASMN1; SMN2CYP1A2MAPK1
SCHEMBL8761519 0.84 SMN1; SMN2 (0.52) KDM4ENPC1SMN1; SMN2CYP1A2MAPK1
SCHEMBL8761515 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2MAPK1RAD52CA12
SCHEMBL2755852 0.84 L3MBTL1 (0.52) KDM4ELMNAGAASMN1; SMN2CYP1A2
SCHEMBL13453975 0.84 SMN1; SMN2 (0.52) KDM4ENPC1SMN1; SMN2CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 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-20070191358-A1 Novel piperidine derivative for the treatment of depression GRIN2C, TPH2, HTR5A KDM4E 157/4885LMNA 3298/4885GAA 4017/4885

“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.