SCHEMBL2193534

SCHEMBL2193534

C1CNCCNCCNCCNCCNCCSSC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.39
HIF1A Q16665 1/20 0.38
MAPT P10636 1/20 0.38
PDE4A P27815 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL29721488 1.00 CXCR4 (0.47) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL6578361 1.00 CXCR4 (0.47) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL25633044 0.97
SCHEMBL10708212 0.87 HIF1A (0.50) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL350591 0.83
Hydrochloric Acid SCHEMBL20544691 0.79
SCHEMBL15355221 0.75 CXCR4 (0.47) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL12100700 0.71
SCHEMBL12882833 0.71 CXCR4 (0.41) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL138572 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190070251-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS 2019-03-07 US disclosed
US-9682153-B2 Polymer conjugates of therapeutic peptides NEKTAR THERAPEUTICS (US) 2017-06-20 US disclosed
US-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS 2016-01-28 US disclosed
US-9173951-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2015-11-03 US disclosed
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2015-02-19 US disclosed
US-8680263-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2014-03-25 US disclosed
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE NEKTAR THERAPEUTICS (US) 2011-07-14 US disclosed
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2011-07-14 US disclosed
EP-1112255-B1 4,4-BIARYLPIPERIDINE DERIVATIVES WITH OPIOID RECEPTOR ACTIVITY PFIZER PROD INC (US) 2005-12-14 EP disclosed
US-6960609-B2 1-diphenylmethyl-pyrazole derivatives as opioid receptor ligands PFIZER, INC. (US) 2005-11-01 US disclosed
US-6514975-B1 Tetrazoles as selective agonists for the delta opioid receptor PFIZER INC 2003-02-04 US disclosed
EP-1279666-A1 1-diphenylmethyl-pyrazole derivatives as opioid receptor ligands Pfizer Products Inc. (US) 2003-01-29 EP disclosed
US-6503905-B1 Treating nervous system and gastrointestinal disorders; analgesics, antiasthmatics PFIZER INC 2003-01-07 US disclosed
EP-1262196-A2 Combination of a monoamine reuptake inhibitor and an opioid antagonist for use in alcoholism and alcohol dependence Pfizer Products Inc. (US) 2002-12-04 EP disclosed
US-6444679-B1 NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; DELTA OPIOID LIGANDS OR OPIOID RECEPTORS PFIZER INC 2002-09-03 US disclosed
US-20020077323-A1 Use of delta opioid receptor ligands and serotonin reuptake inhibitors in the treatment of chemical dependencies PFIZER INC. 2002-06-20 US disclosed
US-20020013321-A1 4,4-Biarylpiperidine derivatives PFIZER INC. 2002-01-31 US disclosed
EP-1140835-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES Pfizer Products Inc. (US) 2001-10-10 EP disclosed
EP-1038872-A1 4-Phenyl-4-heteroarylpiperdine derivatives as opioid receptor ligands Pfizer Products Inc. (US) 2000-09-27 EP disclosed
WO-2000039091-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2000-07-06 WO 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-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP CXCR4 234/4885SMN1; SMN2 1660/4885ALDH1A1 3923/4885
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST CXCR4 565/4885SMN1; SMN2 3066/4885ALDH1A1 1054/4885
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST CXCR4 565/4885SMN1; SMN2 3066/4885ALDH1A1 1054/4885
US-20190070251-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP CXCR4 234/4885SMN1; SMN2 1660/4885ALDH1A1 3923/4885
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE DNPEP, VIP, PTMS CXCR4 183/4885SMN1; SMN2 997/4885ALDH1A1 4177/4885
US-20020013321-A1 4,4-Biarylpiperidine derivatives CYP4B1, CYP3A5, CYP3A4 CXCR4 1172/4885SMN1; SMN2 225/4885ALDH1A1 178/4885
US-20020077323-A1 Use of delta opioid receptor ligands and serotonin reuptake inhibitors in the treatment of chemical dependencies OPRM1, OPRD1, OPRK1 CXCR4 514/4885SMN1; SMN2 1995/4885ALDH1A1 459/4885

“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.