SCHEMBL6490844

SCHEMBL6490844

CSc1ccc2c(c1)CN(C(C)C)S(=O)(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
HTR2A P28223 3/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 1/20 0.34
HTR7 P34969 4/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 3/20 0.33
CYP3A4 P08684 3/20 0.33
HTR1A P08908 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MTOR P42345 1/20 0.33
HTT P42858 1/20 0.33
HTR5A P47898 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL6983136 0.89 HTR2A (0.36) KDM4ERECQLHTR2AHTR2CHTR2B
SCHEMBL8318662 0.80 DPP8 (0.36) KDM4ERECQL
SCHEMBL8317800 0.78 RYR2 (0.42) KDM4EMAPTALDH1A1KMT2A
SCHEMBL2603740 0.77 KDM4E (0.47) KDM4ERECQLMAPK1KMT2A
SCHEMBL6985370 0.77 NAMPT (0.32) KDM4ERECQLMAPTRAB9ASYK
SCHEMBL6984270 0.75 ALDH1A1 (0.42) KDM4EMAPTSMN1; SMN2CYP2D6ALDH1A1
SCHEMBL6975677 0.74 EPHX2 (0.34) KDM4EHTR7SMN1; SMN2MEN1KMT2A
SCHEMBL8316408 0.71 DPP8 (0.36) KDM4ERECQL
SCHEMBL6985168 0.64 HTR2A (0.40) KDM4EHTR2AHTR2CHTR2B
SCHEMBL8315757 0.64 CA12 (0.36) KDM4ERECQLHTR5AKMT2A

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
US-6956040-B2 Oxazolidinone piperazinyl derivatives as potential antimicrobials RANBAXY LABORATORIES LIMITED (IN) 2005-10-18 US disclosed
US-6844338-B2 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-20030225068-A1 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY 2003-12-04 US disclosed
EP-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 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-20030225068-A1 Piperidyindoles as serotonin receptor ligands CNR1, HTR1D, HTR1A KDM4E 4166/4885RECQL 1429/4885HTR2A 24/4885

“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.