SCHEMBL6476896

SCHEMBL6476896

O=C(OC1CCCCO1)C(O)C1CCCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.39
HTT P42858 1/20 0.39
EPHX1 P07099 1/20 0.38
TSHR P16473 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK14 Q16539 1/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6476894 0.80 HTT (0.41) SLC6A3HTTEPHX1LMNAKMT2A
SCHEMBL8809100 0.78 TSHR (0.53) HTTTSHRTAS1R3TAS1R1KMT2A
SCHEMBL6476247 0.75 HTT (0.49) HTTEPHX1TSHRKMT2AIDO1
SCHEMBL10806153 0.71 SLC6A3 (0.52) SLC6A3TSHRLMNAKMT2AALDH1A1
SCHEMBL10807157 0.70 SLC6A3 (0.51) SLC6A3TSHRLMNAKMT2AALDH1A1
SCHEMBL21400761 0.70 IDO1 (0.49) HTTKMT2AIDO1ALDH1A1
SCHEMBL10575720 0.69 SLC6A3 (0.43) SLC6A3HTTLMNAKMT2AALDH1A1
SCHEMBL8763246 0.68 MEN1 (0.44) SLC6A3KMT2AALDH1A1
SCHEMBL10800895 0.68 SLC6A3 (0.42) SLC6A3HTTLMNAKMT2AALDH1A1
Cyclohexylamine SCHEMBL8636341 0.68 SLC6A3 (0.45) SLC6A3LMNAKMT2A

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
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 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 (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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 SLC6A3 4266/4885HTT 4179/4885EPHX1 993/4885

“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.