SCHEMBL10274496

SCHEMBL10274496

CCCOc1ccccc1N1CCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11819234 0.91 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL1829260 0.80 MAPT (0.58) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL11109892 0.80 KDM4E (0.40) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL11114830 0.79 KMT2A (0.41) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL11113990 0.79 OPRM1 (0.47) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL11112128 0.79 ADRA2A (0.43) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL11113040 0.79 DRD2 (0.40) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL85903 0.77 ALOX5 (0.55) SMN1; SMN2MEN1KMT2AMAPTTSHR
SCHEMBL19327260 0.77 ADRA1A (0.49)
SCHEMBL19340062 0.76 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124503-B2 Compositions and methods for acylating lactams CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-09-21 US disclosed
US-20190077796-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-03-14 US disclosed
US-10040784-B2 Compositions and methods for acylating lactams CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-08-07 US disclosed
US-20170260172-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-09-14 US disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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 (7 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-11124503-B2 Compositions and methods for acylating lactams COASY, ASNS, NAAA SMN1; SMN2 2602/4885MEN1 1331/4885KMT2A 1003/4885
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 SMN1; SMN2 311/4885MEN1 2715/4885KMT2A 480/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 SMN1; SMN2 311/4885MEN1 2715/4885KMT2A 480/4885
US-20170260172-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS COASY, NAAA, ASNS SMN1; SMN2 2690/4885MEN1 1909/4885KMT2A 979/4885
US-10040784-B2 Compositions and methods for acylating lactams COASY, NAAA, ASNS SMN1; SMN2 2690/4885MEN1 1909/4885KMT2A 979/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 SMN1; SMN2 311/4885MEN1 2715/4885KMT2A 480/4885
US-20190077796-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS COASY, NAAA, ASNS SMN1; SMN2 2690/4885MEN1 1909/4885KMT2A 979/4885

“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.