SCHEMBL4499783

SCHEMBL4499783

Oc1ccc(N2CCCCC2)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
KMT2A Q03164 6/20 0.60
MAPT P10636 5/20 0.60
MEN1 O00255 5/20 0.60
POLB P06746 3/20 0.42
S100B P04271 2/20 0.42
HTT P42858 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
GAA P10253 4/20 0.40
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CSF1R P07333 1/20 0.40
USP2 O75604 2/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40

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
SCHEMBL5951340 0.85 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL11441903 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL8137046 0.77 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL12386115 0.77 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL195138 0.77 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL3574977 0.76 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL17659019 0.76 KMT2A (0.42) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL3926124 0.76 KMT2A (0.42) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL29805317 0.75 GAA (0.67) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL24252459 0.74 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626958-B1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT 1F AGONISTS LILLY CO ELI (US) 2012-06-27 EP disclosed
US-7608629-B2 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2009-10-27 US disclosed
US-20060211734-A1 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists ELILILLY AND COMPANY (US) 2006-09-21 US disclosed
EP-1626958-A1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 2006-02-22 EP disclosed
WO-2004094380-A1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 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-20060211734-A1 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists HTR1A, HTR1F, HTR5A ALDH1A1 1062/4885KMT2A 4521/4885MAPT 3174/4885

“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.