SCHEMBL518657

SCHEMBL518657

O=CC1CCCCCNC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
SLC6A1 P30531 2/20 0.34
SLC6A11 P48066 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
APLNR P35414 2/20 0.33
CYP2D6 P10635 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 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
SCHEMBL28317187 1.00 ALDH1A1 (0.35) ALDH1A1SLC6A1SLC6A11TSHRLMNA
SCHEMBL28317192 1.00 ALDH1A1 (0.35) ALDH1A1SLC6A1SLC6A11TSHRLMNA
SCHEMBL519197 0.98
SCHEMBL3679491 0.91
SCHEMBL18732892 0.91
SCHEMBL519386 0.91
Hydrochloric Acid SCHEMBL21056370 0.88 SLC6A1 (0.40) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL21056366 0.88 SLC6A1 (0.40) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL21056367 0.88 SLC6A1 (0.40) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5475244 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1926148-A Beta-aminoacid-derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2007-03-07 CN claimed
CN-1926137-A Pyrrole-derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2007-03-07 CN claimed
CN-1791601-A azaindole derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-21 CN claimed
CN-1791598-A benzimidazole derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-21 CN claimed
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-08 US disclosed
US-10654874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-05-19 US disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
EP-2603513-B1 HETEROCYCLIC COMPOUND AND USE THEREOF AS AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATOR TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-29 US disclosed
CN-110099869-A Thermally responsive solution and method of use thereof 阿克福特斯技术有限公司 2019-08-06 CN disclosed
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-14 US disclosed
US-9884875-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-06 US disclosed
CN-100347172-C Azaindole-derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2007-11-07 CN disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
EP-1761539-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER Takeda Pharmaceutical Company Limited (JP) 2007-03-14 EP disclosed
CN-1926137-A Pyrrole-derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2007-03-07 CN disclosed
CN-1926148-A Beta-aminoacid-derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2007-03-07 CN disclosed
CN-1791601-A azaindole derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-21 CN disclosed
CN-1791598-A benzimidazole derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-21 CN disclosed
WO-2005118587-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 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 (5 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-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A ALDH1A1 177/4885SLC6A1 86/4885SLC6A11 72/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A ALDH1A1 177/4885SLC6A1 86/4885SLC6A11 72/4885
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A ALDH1A1 177/4885SLC6A1 86/4885SLC6A11 72/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A ALDH1A1 177/4885SLC6A1 86/4885SLC6A11 72/4885
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 ALDH1A1 1181/4885SLC6A1 3286/4885SLC6A11 4181/4885

“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.