SCHEMBL6973871

SCHEMBL6973871

COc1cc(C(C)=O)ccc1OCCCBr

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MAOB P27338 2/20 0.60
MEN1 O00255 3/20 0.58
PRSS1 P07477 4/20 0.54
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL1545288 0.97 KMT2A (0.64) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL7228185 0.92 KMT2A (0.62) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL8125031 0.92 KMT2A (0.59) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL6856717 0.91 KMT2A (0.76) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL27906226 0.88 TSHR (0.68) PRSS1TSHRMAPTHTT
SCHEMBL1545264 0.87 MAPK1 (0.68) KMT2APRSS1TSHRMAPK1CYP1A2
SCHEMBL4376688 0.87 MAPT (0.59) KMT2APRSS1TSHRMAPK1SMN1; SMN2
SCHEMBL10260429 0.86 KMT2A (0.66) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL470710 0.86 KMT2A (0.66) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL29842346 0.86 KMT2A (0.66) KMT2AMAOBMEN1PRSS1TSHR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 CN disclosed
EP-3556435-B1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE BEIJING SHOWBY PHARMACEUTICAL CO LTD (CN) 2020-10-28 EP disclosed
EP-3556435-A1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE Beijing Showby Pharmaceutical Co., Ltd. (CN) 2019-10-23 EP disclosed
CN-110087729-A One kind has the dual-function compound of quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2019-08-02 CN disclosed
WO-2011154860-A1 AN IMPROVED PROCESS FOR PREPARING ILOPERIDONE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2011-12-15 WO disclosed
EP-0892802-B1 SPIRO(CYCLOPENT(B)INDOLE-PIPERIDINES) AND N-PHENYL-HYDRAZON INTERMEDIATES FOR THEIR PREPARATION, BOTH BEING ACETYLCHOLINESTERASE AND MAO INHIBITORS AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
US-6479501-B2 COGNITION ACTIVATORS; ANTIDEPRESSANTS AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
US-20020004601-A1 Spiro[cyclopent[b]indole-piperidines] HOECHST MARION ROUSSEL, INC. 2002-01-10 US disclosed
US-6229014-B1 8-AZASPIRO(4.5)DECANE-1-ONE; ANTIDEPRESSANTS AND TREATMENT OF PSYCHOLIGICAL DISORDERS, SPECIFICALLY MEMORY LOSS HOECHST MARION ROUSSEL, INC. (FR) 2001-05-08 US disclosed
US-6156901-A Spiro[cyclopent[b]indole-piperidines] HOECHST MARION ROUSSEL, INC. (US) 2000-12-05 US disclosed
EP-0587048-B1 Heteroarenylpiperazines, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-11-25 EP disclosed
WO-1997037992-A2 SPIRO[CYCLOPENT[B]INDOLE-PIPERIDINES] AND N-PHENYL-HYDRAZON INTERMEDIATES FOR THEIR PREPARATION, BOTH BEING ACETYLCHOLINESTERASE AND MAO INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-10-16 WO disclosed
EP-0570850-B1 Benzo(b)thiophen-3-yl-piperazines, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1996-12-11 EP disclosed
EP-0587048-A2 Heteroarenylpiperazines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-03-16 EP disclosed
US-5272148-A Heteroarenylpiperazines HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-12-21 US disclosed
EP-0570850-A1 Benzo(b)thiophen-3-yl-piperazines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-24 EP disclosed
US-5240927-A Benzo[β]thiophen-3-yl piperazines as antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-08-31 US disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 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-20020004601-A1 Spiro[cyclopent[b]indole-piperidines] CAMK2B, GRIN2B, HTR2B KMT2A 3480/4885MAOB 103/4885MEN1 4750/4885

“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.