SCHEMBL172548

SCHEMBL172548

CCCNCCN(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.32
PAOX Q6QHF9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL5932747 0.89 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4ECYP2C9
SCHEMBL27650384 0.86 TSHR (0.46) MEN1KMT2AALDH1A1TSHRCYP2C9
SCHEMBL17431030 0.84 TSHR (0.56) MEN1KMT2AALDH1A1TSHRCYP2C19
SCHEMBL7367901 0.82 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL8223163 0.82 ALDH1A1 (0.33) MEN1KMT2AALDH1A1TSHRPAOX
SCHEMBL26274264 0.80 MEN1 (0.40) MEN1KMT2AALDH1A1KDM4ECYP2C9
SCHEMBL24837512 0.79 MEN1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL4124680 0.78 CYP2C19 (0.56) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL13995258 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ECYP2C9
SCHEMBL12790496 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ECYP2C9

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023143208-A1 PREPARATION METHOD FOR DRUG LINKER CONJUGATE 苏州宜联生物医药有限公司 2023-08-03 WO claimed
WO-2023226900-A1 2-(PIPERAZINE-2-YL) ACETONITRILE DERIVATIVE, PREPARATION METHOD FOR, AND USE THEREOF 苏州泽璟生物制药股份有限公司 2023-11-30 WO disclosed
US-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-14 US disclosed
US-9006487-B2 Amine-containing lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-14 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
CN-102369181-A Method for the continuous production of alkylamino acrylamides EVONIK ROEHM GMBH 2012-03-07 CN disclosed
CN-101027276-B Method for the continuous production of alkyl amino acryl amides ROEHM GMBH 2011-08-17 CN disclosed
US-20110052673-A1 THERAPEUTIC COMPOSITIONS SHIRE HUMAN GENETIC THERAPIES, INC. 2011-03-03 US disclosed
US-20110009641-A1 Amine-containing lipids and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US disclosed
CN-100569733-C Method for the continuous production of alkylamino acrylamides ROEHM GMBH (DE) 2009-12-16 CN disclosed
CN-101027276-A Method for the continuous production of alkyl amino acryl amides ROEHM GMBH (DE) 2007-08-29 CN disclosed
CN-1795107-A Aqueous white pigment compositions CLARIANT FINANCE BVI LTD (GB) 2006-06-28 CN disclosed
CN-1795167-A Method for continuously producing alkylamino(meth)acrylamides ROEHM GMBH (DE) 2006-06-28 CN disclosed
CN-1053472-C Oligonucleotides derived from the SOD family HOFFMANN LA ROCHE (CH) 2000-06-14 CN disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US disclosed
CN-1106405-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating THOMAE GMBH DR K (DE) 1995-08-09 CN 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 (3 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-20110052673-A1 THERAPEUTIC COMPOSITIONS PHOSPHO1, SGMS1, APOB MEN1 718/4885KMT2A 2906/4885ALDH1A1 2111/4885
US-20110009641-A1 Amine-containing lipids and uses thereof PHOSPHO1, CHMP4B, SGMS1 MEN1 1363/4885KMT2A 2031/4885ALDH1A1 1430/4885
US-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF PHOSPHO1, CHMP4B, SGMS1 MEN1 1363/4885KMT2A 2031/4885ALDH1A1 1430/4885

“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.