SCHEMBL7029650

SCHEMBL7029650

COc1ccc(S(=O)(=O)N2CCN(CCc3ccccc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.77
KMT2A Q03164 4/20 0.70
MEN1 O00255 3/20 0.70
PKM P14618 3/20 0.64
NPC1 O15118 1/20 0.64
PKLR P30613 1/20 0.64
RAB9A P51151 1/20 0.64
SIGMAR1 Q99720 2/20 0.64
ALDH1A1 P00352 5/20 0.62
MAPK1 P28482 2/20 0.61
TSHR P16473 2/20 0.61
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL7029089 0.87 NPC1 (0.64) LMNAKMT2AMEN1PKMNPC1
SCHEMBL19392346 0.85 KMT2A (0.76) KMT2AMEN1PKMPOLBL3MBTL1
SCHEMBL7025981 0.84 LMNA (0.59) LMNAKMT2AMEN1PKMNPC1
SCHEMBL7030304 0.84 KMT2A (0.74) LMNAKMT2AMEN1ALDH1A1TSHR
SCHEMBL7023315 0.84 KMT2A (0.78) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL13150788 0.83 SIGMAR1 (0.88) SIGMAR1
SCHEMBL5254949 0.83 KMT2A (1.00) KMT2AMEN1ALDH1A1TSHR
SCHEMBL6298869 0.82 KMT2A (0.74) LMNAKMT2AMEN1ALDH1A1TSHR
SCHEMBL23775435 0.81 PKM (0.71) LMNAPKMNPC1PKLRRAB9A
SCHEMBL7027186 0.81 KMT2A (0.68) LMNAKMT2AMEN1PKMPKLR

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 LMNA 1602/4885KMT2A 472/4885MEN1 3253/4885

“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.