SCHEMBL39972

SCHEMBL39972

CC(C)(C)N1CCCNCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 7/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
MEN1 O00255 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2C P18825 1/20 0.31
CCR2 P41597 1/20 0.31
CXCL12 P48061 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL22375455 0.95 CXCR4 (0.42) CXCR4SMN1; SMN2CHRNB2CHRNA4MEN1
SCHEMBL14192115 0.95 CXCR4 (0.35) CXCR4SMN1; SMN2ALDH1A1CHRNB2CHRNA4
SCHEMBL14155860 0.93 ALDH1A1 (0.36) CXCR4SMN1; SMN2ALDH1A1TDP1
SCHEMBL18471644 0.91 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TDP1
SCHEMBL3888868 0.89 ADRB1 (0.33) CHRM2CHRM1
SCHEMBL104919 0.89 ADRB1 (0.33) CHRM2CHRM1
SCHEMBL24109182 0.87 ALDH1A1 (0.40) CXCR4SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2422010 0.87 HPGD (0.33) ALDH1A1CHRM2CHRM1
SCHEMBL22375421 0.87 HIF1A (0.35) CXCR4SMN1; SMN2CHRM2CHRM1
Bromide SCHEMBL4160212 0.87 ADRB1 (0.32) CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2024-07-18 US disclosed
US-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2024-07-18 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12030869-B2 5-membered heteroaryl carboxamide compounds for treatment of HBV ASSEMBLY BIOSCIENCES, INC. (US) 2024-07-09 US disclosed
US-12030869-B2 5-membered heteroaryl carboxamide compounds for treatment of HBV ASSEMBLY BIOSCIENCES, INC. (US) 2024-07-09 US disclosed
WO-2024145505-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
WO-2024118810-A1 CYCLIC PYRAZOLE DIAMIDE IRE1/XBP1S ACTIVATORS PROTEGO BIOPHARMA, INC. (US) 2024-06-06 WO disclosed
CN-117794525-A Anticancer compounds 加利福尼亚大学董事会 2024-03-29 CN disclosed
CN-117624187-A Efficient HPK1 degradation agent compound and preparation method and application thereof 杭州阿诺生物医药科技有限公司 2024-03-01 CN disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents EPIX PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-7238341-B2 Peptide-based multimeric targeted contrast agents EPIX PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms ELI LILLY AND COMPANY 2007-02-15 US disclosed
US-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms ELI LILLY AND COMPANY 2007-02-15 US disclosed
US-20060039861-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC., A DELAWARE CORPORATION 2006-02-23 US disclosed
US-20050074411-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. A DELAWARE CORPORATION 2005-04-07 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 (7 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-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA CXCR4 786/4885SMN1; SMN2 2475/4885ALDH1A1 4848/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CXCR4 2661/4885SMN1; SMN2 1811/4885ALDH1A1 2211/4885
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents NGLY1, IAPP, NPPA CXCR4 786/4885SMN1; SMN2 2475/4885ALDH1A1 4848/4885
US-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms POLI, HRAS, CHUK CXCR4 2590/4885SMN1; SMN2 2622/4885ALDH1A1 1956/4885
US-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION IFNAR1, NR4A3, NR0B2 CXCR4 227/4885SMN1; SMN2 1174/4885ALDH1A1 2758/4885
US-20050074411-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA CXCR4 786/4885SMN1; SMN2 2475/4885ALDH1A1 4848/4885
US-12030869-B2 5-membered heteroaryl carboxamide compounds for treatment of HBV HCCS, HAVCR2, MAVS CXCR4 2949/4885SMN1; SMN2 4784/4885ALDH1A1 4534/4885

“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.