SCHEMBL64922

SCHEMBL64922

C=CCN1CCCNCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 13/20 0.50
MEN1 O00255 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
ADRA2C P18825 1/20 0.44
CCR2 P41597 1/20 0.44
CXCL12 P48061 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL8757759 1.00 CXCR4 (0.50) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL169698 0.91
SCHEMBL169700 0.91
Hydrochloric Acid SCHEMBL5301309 0.89 SMN1; SMN2 (0.37) CXCR4ADRA2CHRH3SIGMAR1ALDH1A1
Methane SCHEMBL27320849 0.89 MAPT (0.37) CXCR4MEN1CHRM2CHRM1ADRA2C
Bromide SCHEMBL27980411 0.89 POLB (0.37) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL8155578 0.89 POLB (0.37) CXCR4ADRA2CHRH3SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL3293047 0.89 SMN1; SMN2 (0.37) CXCR4ADRA2CHRH3SIGMAR1ALDH1A1
SCHEMBL8581174 0.89 CXCR4 (0.40) CXCR4MEN1CHRM2CHRM1ADRA2C
Ammonia Solution, Strong SCHEMBL175417 0.89 POLB (0.37) CXCR4MEN1CHRM2CHRM1ADRA2C

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
US-20100075966-A1 Substituted Dihydroimidazoles and their Use in the Treatment of Tumors NOVARTIS AG 2010-03-25 US claimed
US-20080242681-A1 N-4-(6-(Hetero)Aryl-Pyrimidin-4-Ylaminophenyl)-Benzenesulfonamides as Kinase Inhibitors ALTANA PHARMA AG (DE) 2008-10-02 US claimed
EP-1709007-A1 N-4-(6-(HETEO)ARYL-PYRIMIDIN-4-YLAMINOPHENYL)-BENZENESULFONAMIDES AS KINASE INHIBITORS Altana Pharma AG (DE) 2006-10-11 EP claimed
WO-2005070900-A1 N-4-(6- (HETEO) ARYL-PYRIMIDIN-4-YLAMINOPHENYL) -BEZENESULFONAMIDES AS KINASE INHIBITORS ALTANA PHARMA AG (DE) 2005-08-04 WO claimed
JP-60193985-A None JP disclosed
EP-3476832-B1 CATIONIC LIPID EISAI R&D MAN CO LTD (JP) 2023-04-19 EP disclosed
WO-2020184670-A1 METHOD FOR INTRODUCING DEUTERATED LOWER ALKYL INTO AMINE MOIETY OF COMPOUND CONTAINING SECONDARY AMINE 大塚製薬株式会社 2020-09-17 WO disclosed
US-20190218180-A1 Cationic Lipid EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-07-18 US disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
EP-3476832-A1 CATIONIC LIPID Eisai R&D Management Co., Ltd. (JP) 2019-05-01 EP disclosed
CN-109311809-A Cationic lipids 卫材R&D管理有限公司 2019-02-05 CN disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
EP-0894800-A2 Aliphatic solutions of aminoalkyllithium compounds Bridgestone Corporation (JP) 1999-02-03 EP disclosed
CN-1192729-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-09-09 CN disclosed
US-5661148-A ANTIHYPOXIC AGENT FOR RESPIRATORY SYSTEM DISORDER TEIJIN LIMITED (JP) 1997-08-26 US disclosed
EP-0514540-B1 PYRROLO 2,3-d]PYRIMIDINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND PHARMACEUTICAL PREPARATION COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT TEIJIN LTD (JP) 1996-07-17 EP disclosed
EP-0514540-A1 PYRROLO 2,3-d]PYRIMIDINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND PHARMACEUTICAL PREPARATION COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1992-11-25 EP disclosed
US-4826840-A 5,6-METHYLENEDIOXYINDENE DERIVATIVES TAIYO PHARMACEUTICAL INDUSTRY CO., LTD. (JP) 1989-05-02 US disclosed
EP-0283551-A2 Ameliorant of cerebral circulation and metabolism Taiyo Pharmaceutical Industry Co., Ltd. (JP) 1988-09-28 EP disclosed
JP-S60193985-A ENZYME ACTIVITY INHIBITOR KAKIUCHI SHIRO 1985-10-02 JP 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-20190218180-A1 Cationic Lipid NPC1L1, NPC1, LPCAT1 CXCR4 959/4885MEN1 1576/4885CHRM2 2799/4885
US-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 CXCR4 3638/4885MEN1 13/4885CHRM2 4554/4885
US-20100075966-A1 Substituted Dihydroimidazoles and their Use in the Treatment of Tumors TP53, KRAS, NRAS CXCR4 2169/4885MEN1 1376/4885CHRM2 4843/4885
US-20080242681-A1 N-4-(6-(Hetero)Aryl-Pyrimidin-4-Ylaminophenyl)-Benzenesulfonamides as Kinase Inhibitors MAP3K19, MAP3K6, MAP3K20 CXCR4 2669/4885MEN1 3892/4885CHRM2 2371/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 CXCR4 3038/4885MEN1 63/4885CHRM2 4461/4885

“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.