SCHEMBL10256869

SCHEMBL10256869

O=S1(=O)CCN(CCc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.63
▸ SIGMAR1 Q99720 3/20 0.61
▸ HTR1A P08908 1/20 0.56
▸ DRD2 P14416 1/20 0.56
▸ ACHE P22303 1/20 0.54
▸ CCR3 P51677 1/20 0.53
▸ KCNH2 Q12809 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HTR2A P28223 2/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAOA P21397 1/20 0.50

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
SCHEMBL13595130 0.82 MEN1 (0.70) SIGMAR1MEN1KMT2A
SCHEMBL28623210 0.82 MEN1 (0.47) SLC6A3SIGMAR1KCNH2MEN1KMT2A
SCHEMBL12394322 0.82 SIGMAR1 (0.55) SLC6A3SIGMAR1KCNH2MEN1KMT2A
SCHEMBL6056974 0.82 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL13150782 0.82 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL14407778 0.82 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL7264546 0.82 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL3319068 0.81 KMT2A (0.68) SIGMAR1ACHEMEN1KMT2ACYP1A2
SCHEMBL12551215 0.80 HRH3 (0.69) SLC6A3SIGMAR1HTR1AKCNH2KMT2A
SCHEMBL4892752 0.80 SIGMAR1 (0.61) SLC6A3SIGMAR1HTR1AMAOA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828641-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-09 — — US disclosed
US-8828641-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-09 — — US disclosed
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 — — EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 — — US disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 — — US disclosed
EP-1535913-B1 NOVEL QUATERNARY AMMONIUM COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2011-11-02 — — EP disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 — — US disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 — — US disclosed
US-20110129777-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-06-02 — — US disclosed
US-20110129777-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-06-02 — — US disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 — — US disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 — — US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 — — US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 — — US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 — — US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 — — US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 — — US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 — — 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 (3 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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 SLC6A3 344/4885SIGMAR1 932/4885HTR1A 4023/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 SLC6A3 2668/4885SIGMAR1 205/4885HTR1A 1761/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 SLC6A3 1462/4885SIGMAR1 161/4885HTR1A 2469/4885

“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.

Send feedback