SCHEMBL2551696

SCHEMBL2551696

CC(C)NC(C(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.38
SLC7A5 Q01650 1/20 0.38
PLA2G2A P14555 1/20 0.37
PLA2G5 P39877 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
FPR2 P25090 1/20 0.36
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
MMP13 P45452 2/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL16750043 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAGAAHPGD
SCHEMBL73645 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAGAAHPGD
SCHEMBL30461437 0.81 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2LMNAGAAHPGD
SCHEMBL21844003 0.81 TP53 (0.43) ALDH1A1SMN1; SMN2TP53TDP1
SCHEMBL16750045 0.81 TP53 (0.43) ALDH1A1SMN1; SMN2TP53TDP1
SCHEMBL24253076 0.81 TP53 (0.43) ALDH1A1SMN1; SMN2TP53TDP1
SCHEMBL21844009 0.81 TP53 (0.43) ALDH1A1SMN1; SMN2TP53TDP1
SCHEMBL22697281 0.81 TP53 (0.43) ALDH1A1SMN1; SMN2LMNAGAAHPGD
SCHEMBL14572731 0.81 TP53 (0.43) ALDH1A1SMN1; SMN2TP53TDP1
SCHEMBL19090792 0.81 TP53 (0.43) ALDH1A1SMN1; SMN2TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112135812-A Ketamine derivatives and pharmaceutical compositions thereof 凯瑞康宁生物工程(武汉)有限公司 2020-12-25 CN claimed
CN-110917205-A Substituted nucleosides, nucleotides and analogs thereof 詹森生物制药有限公司 2020-03-27 CN claimed
CN-102378580-A Dipeptide as feedstuff additive EVONIK DEGUSSA GMBH 2012-03-14 CN claimed
US-20250122149-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XWPharma Ltd. (KY) 2025-04-17 US disclosed
US-12209060-B2 Ketamine derivatives and compositions thereof XWPharma Ltd. (KY) 2025-01-28 US disclosed
US-20240216539-A1 VECTOR FOR DELIVERING ACTIVE AGENT TO NERVOUS SYSTEM, AND USE THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2024-07-04 US disclosed
US-20240216539-A1 VECTOR FOR DELIVERING ACTIVE AGENT TO NERVOUS SYSTEM, AND USE THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2024-07-04 US disclosed
CN-117881394-A Pharmaceutical composition and oral dosage form of ketamine derivative 凯瑞康宁生物工程(武汉)有限公司 2024-04-12 CN disclosed
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
EP-2552885-A1 NEURAMINIDASE INHIBITORS TSRL, Inc. (US) 2013-02-06 EP disclosed
CN-102378580-A Dipeptide as feedstuff additive EVONIK DEGUSSA GMBH 2012-03-14 CN disclosed
WO-2011123856-A1 NEURAMINIDASE INHIBITORS TSRL, INC. (US) 2011-10-06 WO disclosed
US-20070072934-A1 Alkoxy indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2007-03-29 US disclosed
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US disclosed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO disclosed
US-4447613-A Pyridyl esters and thiolesters of aminoalkanoic acids ZOECON CORPORATION (US) 1984-05-08 US disclosed
US-4269981-A Certain pyridylmethyl esters of formamido-lower-alkanoates and derivatives thereof ZOECON CORPORATION (US) 1981-05-26 US disclosed
US-4247701-A Certain pesticidal substituted amino lower-alkanoates or lower-alkano-thioates containing pyridyl in the ester portion ZOECON CORPORATION (US) 1981-01-27 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 (6 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-12209060-B2 Ketamine derivatives and compositions thereof OPRK1, KCNK10, KCNK17 ALDH1A1 2003/4885SMN1; SMN2 581/4885LMNA 3314/4885
US-20240216539-A1 VECTOR FOR DELIVERING ACTIVE AGENT TO NERVOUS SYSTEM, AND USE THEREOF TTR, HAVCR2, PMP22 ALDH1A1 823/4885SMN1; SMN2 7/4885LMNA 917/4885
US-20250122149-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF OPRK1, KCNK10, KCNK17 ALDH1A1 2003/4885SMN1; SMN2 581/4885LMNA 3314/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE ALDH1A1 2185/4885SMN1; SMN2 4875/4885LMNA 2333/4885
US-20070072934-A1 Alkoxy indolinone based protein kinase inhibitors PHKG1, MAP3K19, MAP3K20 ALDH1A1 1969/4885SMN1; SMN2 3450/4885LMNA 3047/4885
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B ALDH1A1 3359/4885SMN1; SMN2 292/4885LMNA 210/4885

“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.