SCHEMBL6985196

SCHEMBL6985196

N#CCCc1cc(CS)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.50
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHEK1 O14757 1/20 0.32
PNMT P11086 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
REN P00797 1/20 0.30

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
SCHEMBL663110 0.76 MEN1 (0.48) MEN1KMT2APNMTTAAR1REN
SCHEMBL5422243 0.75 SLC6A4 (0.42) MEN1KMT2ACHEK1
SCHEMBL11058440 0.75 CYP3A4 (0.43) MEN1KMT2ACHEK1PNMTTAAR1
SCHEMBL6985194 0.71 MEN1 (0.35) MEN1KMT2ACHEK1
SCHEMBL1343862 0.70 TAAR1 (0.54) IDO1MEN1KMT2APNMTTAAR1
SCHEMBL232137 0.68 IDO1 (1.00) IDO1PNMTTAAR1
SCHEMBL663548 0.68 MEN1 (0.40) MEN1KMT2AREN
SCHEMBL28630653 0.67 IDO1 (0.50) IDO1MEN1KMT2ACHEK1
SCHEMBL14846267 0.66 IGF1R (0.53) IDO1MEN1KMT2APNMTTAAR1
SCHEMBL1068989 0.66 MEN1 (0.40) MEN1KMT2AREN

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
EP-1146041-B1 Derivatives of heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane and their use as inhibitors of the recapture of serotonine and of noradrenaline SERVIER LAB (FR) 2003-11-12 EP disclosed
US-6420413-B2 1-(6-((DIMETHYLAMINO)METHYL)-1-METHYL-2,3,5,6-TETRAHYDRO-1H -CYCLOBUTA(F) INDOL-6-YL)CYCLOHEXANOL, FOR EXAMPLE; TREATING PSYCHOLOGICAL DISORDERS SUCH AS DEPRESSION, PANIC ATTACKS, PHOBIAS, DRUG ABUSE, AS WELL AS OBESITY AND BULEMIA LES LABORATORIES SERVIER (FR) 2002-07-16 US disclosed
US-20020019380-A1 Heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane compounds LES LABORATOIRES SERVIER (FR) 2002-02-14 US disclosed
EP-1146041-A1 Derivatives of heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane and their use as inhibitors of the recapture of serotonine and of noradrenaline ADIR ET COMPAGNIE (FR) 2001-10-17 EP 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-20020019380-A1 Heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane compounds HSD3B2, HSD3B1, NR1H3 IDO1 1145/4885MEN1 2535/4885KMT2A 2843/4885

“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.