SCHEMBL6894696

SCHEMBL6894696

CCCCCCCCCCCCCCC(N)(N)CC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.46
FDPS P14324 2/20 0.46
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.44
DNM1 Q05193 8/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 1/20 0.41
GGPS1 O95749 1/20 0.39

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
SCHEMBL28933188 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL28933170 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL29461363 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL5275683 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL28933174 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL23093987 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL5273170 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL5965054 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL1066590 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL28933175 1.00 SMPD1 (0.46) SMPD1FDPSTSHRTHRBDNM1

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
EP-3174849-B1 SYNTHESIS OF PYRROLIDINE DERIVATIVES UNIV TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2019-03-13 EP claimed
EP-0886551-B1 STABILITY CONTROL AGENT COMPOSITION FOR POLYOLEFIN FOAM KNAUS DENNIS A (US) 2004-08-04 EP claimed
EP-3174849-B1 SYNTHESIS OF PYRROLIDINE DERIVATIVES UNIV TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2019-03-13 EP disclosed
EP-3174849-A1 PRODUCTION OF PYRROLIDINE DERIVATIVES Eberhard Karls Universität Tübingen Medizinische Fakultät (DE) 2017-06-07 EP disclosed
EP-3174390-A1 COMPOSITION FOR MODULATING THE ACTIVITY OF NON-STRUCTURAL PROTEINS Eberhard Karls Universität Tübingen Medizinische Fakultät (DE) 2017-06-07 EP disclosed
US-20170137378-A1 Production of Pyrrolidine Derivatives LICIT SOLUTIONS GMBH (DE) 2017-05-18 US disclosed
US-20170137379-A1 Composition for the Modulation of the Activity of Non-Structure Proteins LICIT SOLUTIONS GMBH (DE) 2017-05-18 US disclosed
WO-2016016168-A1 COMPOSITION FOR MODULATING THE ACTIVITY OF NON-STRUCTURAL PROTEINS EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2016-02-04 WO disclosed
WO-2016016167-A1 PRODUCTION OF PYRROLIDINE DERIVATIVES EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2016-02-04 WO disclosed
EP-1017668-B1 METHOD FOR PRODUCING GLUCOPROTAMINES COGNIS DEUTSCHLAND GMBH (DE) 2003-03-19 EP disclosed
EP-1017668-A1 METHOD FOR PRODUCING GLUCOPROTAMINES Cognis Deutschland GmbH (DE) 2000-07-12 EP disclosed
WO-1999015496-A1 METHOD FOR PRODUCING GLUCOPROTAMINES COGNIS DEUTSCHLAND GMBH (DE) 1999-04-01 WO disclosed
EP-0156275-B1 ANTIMICROBIALLY ACTIVE SUBSTANCES, THEIR PREPARATION AND THEIR USE Henkel Kommanditgesellschaft auf Aktien (DE) 1989-06-07 EP disclosed
EP-0156275-A2 Antimicrobially active substances, their preparation and their use Henkel Kommanditgesellschaft auf Aktien (DE) 1985-10-02 EP disclosed
WO-1984004919-A1 N-SUBSTITUTED ALKYLAMINES, PREPARATION THEREOF AND UTILIZATION THEREOF AS ANTIMICROBIAL AGENTS HENKEL KGAA (DE) 1984-12-20 WO disclosed
US-4169074-A Compositions for cold water washing containing N-substituted ω-hydroxyalkane carboxylic acid amides HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-09-25 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 (2 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-20170137379-A1 Composition for the Modulation of the Activity of Non-Structure Proteins PEBP1, TUFM, HSPBP1 SMPD1 1670/4885FDPS 510/4885TSHR 4632/4885
US-20170137378-A1 Production of Pyrrolidine Derivatives PPOX, DHPS, ALDH18A1 SMPD1 2156/4885FDPS 11/4885TSHR 2825/4885

“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.