SCHEMBL56651

SCHEMBL56651

CCC[CH]C(C)CCCC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.36
TSHR P16473 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 1/20 0.35
ALDH1A1 P00352 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA2 P00918 2/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
CA1 P00915 1/20 0.31
CYP3A4 P08684 1/20 0.31
FDPS P14324 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 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
SCHEMBL9866884 0.92 OPRM1 (0.44) DNM1TSHROPRM1ADH1BADH1C
SCHEMBL28219926 0.90 OPRM1 (0.42) DNM1TSHROPRM1ADH1BADH1C
SCHEMBL28270182 0.90 OPRM1 (0.42) DNM1TSHROPRM1ADH1BADH1C
SCHEMBL28219919 0.90 OPRM1 (0.42) DNM1TSHROPRM1ADH1BADH1C
SCHEMBL28270193 0.90 OPRM1 (0.42) DNM1TSHROPRM1ADH1BADH1C
SCHEMBL28616974 0.90 OPRM1 (0.42) DNM1TSHROPRM1ADH1BADH1C
SCHEMBL940976 0.90 OPRM1 (0.42) DNM1TSHROPRM1ADH1BADH1C
SCHEMBL28279026 0.90 OPRM1 (0.42) DNM1TSHROPRM1ADH1BADH1C
SCHEMBL20605268 0.90 TSHR (0.38) DNM1TSHRSMN1; SMN2OPRM1ALDH1A1
SCHEMBL7698918 0.87 DNM1 (0.40) DNM1TSHRSMN1; SMN2OPRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633358-B2 T-type calcium channel inhibitor KINKI UNIVERSITY (JP) 2020-04-28 US disclosed
CN-106893581-B Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2019-11-05 CN disclosed
CN-106892915-B Organic compound, organic electroluminescence device and its application 南京高光半导体材料有限公司 2019-02-22 CN disclosed
CN-106892914-B Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2019-02-01 CN disclosed
CN-106588946-B 10-hydroxycamptothecine derivative, synthetic method and its application 郑州大学 2019-01-22 CN disclosed
CN-105755480-B Efficient acidic cleaner 江苏筑磊电子科技有限公司 2018-06-19 CN disclosed
CN-108101922-A Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2018-06-01 CN disclosed
US-20180065947-A1 T-TYPE CALCIUM CHANNEL INHIBITOR UNIV KINKI (JP) 2018-03-08 US disclosed
US-20160096815-A1 T-TYPE CALCIUM CHANNEL INHIBITOR KINKI UNIVERSITY (JP) 2016-04-07 US disclosed
EP-3000465-A1 T-TYPE CALCIUM CHANNEL INHIBITOR Kinki University (JP) 2016-03-30 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
CN-1957057-A Novel working substance pair for absorption heat pump, absorption refrigerator and heat converter BASF AG (DE) 2007-05-02 CN disclosed
US-6995163-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-6951865-B2 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI CO., LTD. (JP) 2005-10-04 US disclosed
US-6927221-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2005-08-09 US disclosed
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
EP-1408040-A1 Tricyclic fused heterocyclic compounds as CRFantagonists Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-04-24 US disclosed
EP-1238979-A1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-09-11 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 (6 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-20160096815-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1G, CACNA1H, CACNA1I DNM1 736/4885TSHR 1147/4885SMN1; SMN2 3065/4885
US-20180065947-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1G, CACNA1H, CACNA1I DNM1 750/4885TSHR 1227/4885SMN1; SMN2 3194/4885
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same NR3C2, CRHR1, CRHR2 DNM1 2148/4885TSHR 140/4885SMN1; SMN2 3994/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 DNM1 3757/4885TSHR 47/4885SMN1; SMN2 3935/4885
US-10633358-B2 T-type calcium channel inhibitor CACNA1G, CACNA1H, CACNA1I DNM1 750/4885TSHR 1227/4885SMN1; SMN2 3194/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 DNM1 3757/4885TSHR 47/4885SMN1; SMN2 3935/4885

“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.