SCHEMBL98102

SCHEMBL98102

NCCc1ccccc1[O]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.56
HTR2A P28223 5/20 0.50
HRH1 P35367 2/20 0.45
CYP2A6 P11509 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
HMGB1 P09429 1/20 0.42
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2C P28335 1/20 0.41
CTSK P43235 1/20 0.41
CYP2A13 Q16696 1/20 0.41
PMP22 Q01453 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
SCHEMBL5185563 0.84 MAOA (0.50) TAAR1HTR2AHRH1MPO
SCHEMBL8698489 0.84 TAAR1 (0.35) TAAR1HTR1A
SCHEMBL224549 0.81 TAAR1 (0.70) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL5184014 0.79
SCHEMBL2907330 0.75 TAAR1 (0.60) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL810350 0.75 TDP1 (0.44) TAAR1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL186669 0.75 GABRA1 (0.37) ADRA2CHTR1A
SCHEMBL6829700 0.75 ALDH1A1 (0.34) TAAR1
SCHEMBL28597876 0.75 TAAR1 (0.56) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL3051426 0.74 TAAR1 (0.61) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3011961-B1 4F-BENZOYL-TN14003 FOR THE MOBILISATION OF HEMATOPOIETIC PROGENITOR CELLS IN VIEW OF TRANSPLANTATION BIOKINE THERAPEUTICS LTD (IL) 2020-11-11 EP disclosed
EP-2841084-B1 CXCR4 ANTAGONIST PEPTIDE FOR USE IN THE TREATMENT OF LARGE CELL LUNG CANCER BIOKINE THERAPEUTICS LTD (IL) 2018-05-30 EP disclosed
US-9439942-B2 Peptides and use thereof in the treatment of large cell lung cancer BIOKINE THERAPEUTICS LTD. (IL) 2016-09-13 US disclosed
EP-3011961-A1 4F-benzoyl-TN14003 for the mobilisation of hematopoietic progenitor cells in view of transplantation Biokine Therapeutics LTD. (IL) 2016-04-27 EP disclosed
EP-2942059-A1 4F-BENZOYL-TN14003 FOR USE IN THE TREATMENT OF MULTIPLE MYELOMA Biokine Therapeutics LTD. (IL) 2015-11-11 EP disclosed
US-20150125549-A1 PEPTIDES AND USE THEREOF IN THE TREATMENT OF LARGE CELL LUNG CANCER BIOKINE THERAPEUTICS LTD. (IL) 2015-05-07 US disclosed
EP-2841084-A1 PEPTIDES AND USE THEREOF IN THE TREATMENT OF LARGE CELL LUNG CANCER Biokine Therapeutics Ltd. (IL) 2015-03-04 EP disclosed
EP-2426139-B1 CXCR4 antagonist and use thereof BIOKINE THERAPEUTICS LTD (IL) 2014-10-01 EP disclosed
EP-2759302-A2 4F-benzoyl-TN14003 combined with rituximab for use in the treatment of a tumour Biokine Therapeutics LTD. (IL) 2014-07-30 EP disclosed
EP-2442822-B1 PEPTIDE THERAPY FOR INCREASING PLATELET LEVELS BIOKINE THERAPEUTICS LTD (IL) 2014-03-05 EP disclosed
WO-2008075369-A2 T-140 PEPTIDE ANALOGS HAVING CXCR4 SUPER-AGONIST ACTIVITY FOR BONE MARROW RECOVERY BIOKINE THERAPEUTICS LTD. (IL) 2008-06-26 WO disclosed
EP-1898943-A2 CXCR4 ANTAGONISTS FOR WOUND HEALING AND RE-EPITHELIALIZATION Hadasit Medical Research Services & Development Ltd. (IL) 2008-03-19 EP disclosed
EP-1273608-B1 FLAME-RETARDANT EPOXY RESIN COMPOSITION, MOLDED OBJECT THEREOF, AND ELECTRONIC PART OTSUKA KAGAKU KK (JP) 2007-07-04 EP disclosed
WO-2006126188-A2 CXCR4 ANTAGONISTS FOR WOUND HEALING AND RE-EPITHELIALIZATION HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2006-11-30 WO disclosed
EP-1541585-A1 CXCR4 ANTAGONIST AND USE THEREOF Fujii, Nobutaka (JP) 2005-06-15 EP disclosed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
US-6797750-B2 Flame-retardant epoxy resin composition, molded article thereof, and electronic part OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2004-09-28 US disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
US-20030114606-A1 A phosphazene compound or polyphosphazenes; fireproofing OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2003-06-19 US disclosed
EP-1273608-A1 FLAME-RETARDANT EPOXY RESIN COMPOSITION, MOLDED OBJECT THEREOF, AND ELECTRONIC PART OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2003-01-08 EP 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 (1 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-20150125549-A1 PEPTIDES AND USE THEREOF IN THE TREATMENT OF LARGE CELL LUNG CANCER NGLY1, VIP, TAP1 TAAR1 3851/4885HTR2A 4805/4885HRH1 3525/4885

“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.