SCHEMBL12437489

SCHEMBL12437489

O=C(NCC(c1ccccc1F)N1CCCC1)c1ccccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.46
P2RX7 Q99572 5/20 0.46
TDP1 Q9NUW8 1/20 0.45
MC4R P32245 2/20 0.43
LMNA P02545 1/20 0.40
HCN1 O60741 1/20 0.40
HCN4 Q9Y3Q4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL12437597 0.86 CYP2D6 (0.50) CYP2D6P2RX7MC4RLMNAMEN1
SCHEMBL12513648 0.84 MEN1 (0.52) CYP2D6P2RX7MEN1KMT2A
SCHEMBL12437486 0.82 HCN1 (0.60) CYP2D6P2RX7TDP1LMNAHCN1
SCHEMBL12437555 0.82 P2RX7 (0.53) CYP2D6P2RX7LMNA
SCHEMBL12437383 0.79 MEN1 (0.49) LMNAMEN1KMT2A
SCHEMBL12437381 0.78 HRH3 (0.48) LMNAMEN1KMT2A
SCHEMBL12437413 0.78 HRH3 (0.48) LMNAMEN1KMT2A
SCHEMBL12437494 0.78 ATM (0.50) P2RX7LMNAMEN1KMT2ATP53
SCHEMBL12437567 0.77 TP53 (0.52) CYP2D6TDP1LMNAMEN1KMT2A
SCHEMBL12437569 0.76 KAT6A (0.44) CYP2D6P2RX7MC4RMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 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 (2 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-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD CYP2D6 1488/4885P2RX7 4097/4885TDP1 371/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD CYP2D6 1488/4885P2RX7 4097/4885TDP1 371/4885

“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.