SCHEMBL7030997

SCHEMBL7030997

FC(F)(F)c1cnc(-n2c[c]cc2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ALDH1A1 P00352 5/20 0.45
MAPT P10636 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 7/20 0.42
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL4536959 0.80 POLB (0.55) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL5213662 0.78 POLB (0.50) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL695838 0.70 ALDH1A1 (0.47) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL9105524 0.69 POLB (0.75) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL2006539 0.69 POLB (0.66) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL9365631 0.69 POLB (0.47) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL9365505 0.68 POLB (0.46) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL9366498 0.68 POLB (0.46) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL27519532 0.68 ALDH1A1 (0.49) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL5445153 0.67 TDP1 (0.35) ALDH1A1TDP1

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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists MERCK PATENT GMBH (DE) 2003-07-10 US disclosed
EP-1246803-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT 2A? RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2002-10-09 EP disclosed
WO-2001051469-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2001-07-19 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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists HTR2A, HTR1A, HTR5A POLB 1282/4885ALDH1A1 1478/4885MAPT 1126/4885

“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.