SCHEMBL1246151

SCHEMBL1246151

CCCCC(C)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.50
KCNH2 Q12809 1/20 0.50
CYP2D6 P10635 2/20 0.47
KCNE1 P15382 1/20 0.47
TSHR P16473 1/20 0.44
CHRM2 P08172 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
SCN5A Q14524 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
SCHEMBL4727087 0.95 KCNA5 (0.49) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL30664037 0.95 KCNA5 (0.49) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL1246137 0.93 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL1246142 0.93 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL1244305 0.93 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL24920226 0.93 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL1245544 0.93 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL6114690 0.93 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL1246211 0.93 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL30664039 0.93 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102940224-B Cinnamic acid acid amides is as delicious flavor substance SYMRISE AG (DE) 2016-05-04 CN claimed
CN-104361997-A DSC battery manufacturing electrolyte solution UNIV ZHEJIANG SCIENCE & TECH 2015-02-18 CN claimed
CN-102940224-A Cinnamamides as savory flavorings SYMRISE AG 2013-02-27 CN claimed
CN-101980620-A Product for changing taste FIRMENICH & CIE 2011-02-23 CN claimed
CN-101980619-A Taste modifying product FIRMENICH & CIE 2011-02-23 CN claimed
CN-118861562-A Novel food additive dosage allocation method and system based on safety analysis 六安文俊食品贸易有限公司 2024-10-29 CN disclosed
CN-118027254-A Isobutylene pyridine salt ionic polymer, preparation method and application thereof, and antibacterial high polymer material 中国石油化工股份有限公司 2024-05-14 CN disclosed
WO-2023183652-A1 DUAL CXCR4-BTK INHIBITORS X4 PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
WO-2023107689-A1 METHODS FOR TREATING PRIMARY IMMUNODEFICIENCY X4 PHARMACEUTICALS, INC. (US) 2023-06-15 WO disclosed
US-20230128195-A1 SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-27 US disclosed
US-11548898-B2 Synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-01-10 US disclosed
EP-4098261-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NONALCOHOLIC STEATOHEPATITIS Dong-A ST Co., Ltd. (KR) 2022-12-07 EP disclosed
CN-102888200-A Adhesive and adhesive sheet LINTEC CORP 2013-01-23 CN disclosed
CN-102482197-A Process for producing diquaternary ammonium salt and novel intermediate WAKO PURE CHEM IND LTD 2012-05-30 CN disclosed
CN-102482208-A Ionic Liquid Containing Allyl Sulfonate Anion WAKO PURE CHEM IND LTD 2012-05-30 CN disclosed
CN-101980620-A Product for changing taste FIRMENICH & CIE 2011-02-23 CN disclosed
CN-101980619-A Taste modifying product FIRMENICH & CIE 2011-02-23 CN disclosed
US-20110023483-A1 Drive unit and method for its operation VOITH PATENT GMBH (DE) 2011-02-03 US disclosed
US-4113645-A QUATERNARY AMMONIUM SALT DISPERSANT POLAK'S FRUTAL WORKS, INC. (US) 1978-09-12 US disclosed
US-4071746-A Alkylbenzyl pyridinium compounds and uses PETROLITE CORPORATION (US) 1978-01-31 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 (2 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-11548898-B2 Synthesis of halichondrins H1-3, NISCH, H1-5 KCNA5 923/4885KCNH2 762/4885CYP2D6 2658/4885
US-20230128195-A1 SYNTHESIS OF HALICHONDRINS H1-3, NISCH, HDAC11 KCNA5 926/4885KCNH2 761/4885CYP2D6 2623/4885

“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.