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 — —
Methane SCHEMBL27320849 0.89 MAPT (0.37) CXCR4MEN1CHRM2CHRM1ADRA2C
Hydrochloric Acid SCHEMBL3293047 0.89 SMN1; SMN2 (0.37) CXCR4ADRA2CHRH3SIGMAR1ALDH1A1
Ammonia Solution, Strong SCHEMBL175417 0.89 POLB (0.37) CXCR4MEN1CHRM2CHRM1ADRA2C
Hydrochloric Acid SCHEMBL5301309 0.89 SMN1; SMN2 (0.37) CXCR4ADRA2CHRH3SIGMAR1ALDH1A1
Bromide SCHEMBL27980411 0.89 POLB (0.37) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL8155578 0.89 POLB (0.37) CXCR4ADRA2CHRH3SIGMAR1ALDH1A1
SCHEMBL8581174 0.89 CXCR4 (0.40) 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.

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