SCHEMBL6224919

SCHEMBL6224919

CC(c1ccc(C#N)cc1)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.50
CYP2D6 P10635 2/20 0.47
DPP4 P27487 1/20 0.45
KCNH2 Q12809 1/20 0.45
OPRD1 P41143 1/20 0.45
HSD11B1 P28845 2/20 0.44
HRH3 Q9Y5N1 2/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
MC4R P32245 1/20 0.42
LTA4H P09960 1/20 0.41
ACHE P22303 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP19A1 P11511 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 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
SCHEMBL5553163 0.95 SLC6A3 (0.47) SLC6A3CYP2D6DPP4KCNH2OPRD1
SCHEMBL31647252 0.86 OPRD1 (0.62) SLC6A3CYP2D6DPP4KCNH2OPRD1
SCHEMBL16627319 0.86 MC4R (0.61) SLC6A3CYP2D6DPP4KCNH2OPRD1
SCHEMBL6448616 0.80 DRD2 (0.45) CYP2D6HRH3ALDH1A1CYP3A4USP2
SCHEMBL16982012 0.78 CYP2D6 (0.56) CYP2D6KCNH2OPRD1CHRM2CHRM1
SCHEMBL22227820 0.78 CYP2D6 (0.47) CYP2D6DPP4KCNH2OPRD1CHRM2
SCHEMBL20832769 0.78 CYP2D6 (0.47) CYP2D6DPP4KCNH2OPRD1CHRM2
SCHEMBL16270668 0.76 CHRM2 (0.54) SLC6A3CYP2D6HRH3CHRM2CHRM1
SCHEMBL2735673 0.76 CHRM2 (0.54) SLC6A3CYP2D6HRH3CHRM2CHRM1
SCHEMBL3576037 0.75 CYP2D6 (0.52) SLC6A3CYP2D6OPRD1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110938076-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-08-10 CN disclosed
CN-112898308-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-06-04 CN disclosed
EP-3190113-B1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-05-19 EP disclosed
EP-3190113-B1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-05-19 EP disclosed
CN-110759916-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-02-19 CN disclosed
CN-110938076-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2020-03-31 CN disclosed
US-10555949-B2 Pyrrolopyrimidine compounds used as TLR7 agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-02-11 US disclosed
US-10555949-B2 Pyrrolopyrimidine compounds used as TLR7 agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-02-11 US disclosed
CN-110759916-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2020-02-07 CN disclosed
CN-106661034-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2019-11-29 CN disclosed
US-20170273983-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-09-28 US disclosed
US-20170273983-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-09-28 US disclosed
EP-3190113-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST Chai Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-07-12 EP disclosed
EP-3190113-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST Chai Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-07-12 EP disclosed
CN-106661034-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2017-05-10 CN disclosed
CN-105367576-A Pyrrolopyrimidine compounds as TLR7 agonists CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD 2016-03-02 CN disclosed
WO-2016023511-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST 正大天晴药业集团股份有限公司 2016-02-18 WO disclosed
EP-1534689-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-06-01 EP disclosed
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US disclosed
WO-2004024702-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-25 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 (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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R SLC6A3 1179/4885CYP2D6 1590/4885DPP4 550/4885
US-10555949-B2 Pyrrolopyrimidine compounds used as TLR7 agonist TLR7, TLR9, TLR1 SLC6A3 3777/4885CYP2D6 1307/4885DPP4 553/4885
US-20170273983-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST TLR7, TLR9, TLR1 SLC6A3 3777/4885CYP2D6 1307/4885DPP4 553/4885

“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.