SCHEMBL253354

SCHEMBL253354

C=CC(N)c1ccccc1.[CaH2]

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
F2 P00734 1/20 0.48
HTR2A P28223 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1534125 0.97 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL38740 0.97 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL1683556 0.97 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A
Hydrochloric Acid SCHEMBL3919212 0.95 DPP4 (0.48) DPP4F2HTR2ATAAR1ADRA2A
Water SCHEMBL5430575 0.95 DPP4 (0.48) DPP4F2HTR2ATAAR1ADRA2A
Hydrochloric Acid SCHEMBL11329469 0.93 DPP4 (0.46) DPP4F2HTR2ATAAR1ADRA2A
Hydrochloric Acid SCHEMBL28317319 0.93 DPP4 (0.46) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL6291617 0.84 ADRB2 (0.31) DPP4F2
SCHEMBL9256933 0.80 DPP4 (0.36) DPP4F2HTR2A
SCHEMBL5687743 0.75 MEN1 (0.40) HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021262825-A2 DISRUPTING LIPID SYNTHESIS: A NOVEL TARGET FOR BROAD-SPECTRUM HOST-DIRECTED ANTI-VIRULENCE THERAPEUTICS GENETIC NETWORKS, LLC (US) 2021-12-30 WO claimed
US-10639308-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2020-05-05 US claimed
US-20200087367-A1 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE ACCELERON PHARMA INC. 2020-03-19 US claimed
CN-110603049-A Compositions and methods for treating heart failure 阿塞勒隆制药公司 2019-12-20 CN claimed
EP-2953558-B1 EMBRYO TRANSFER CATHETER SILLENDER MARK (AU) 2019-08-28 EP claimed
US-10154856-B2 Therapeutic substance transfer catheter and method SILLENDER MARK (AU) 2018-12-18 US claimed
WO-2018144968-A1 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE ACCELERON PHARMA INC. (US) 2018-08-09 WO claimed
EP-3160464-A1 USE OF BUSPIRONE METABOLITES Contera Pharma APS (DK) 2017-05-03 EP claimed
WO-2015197079-A1 USE OF BUSPIRONE METABOLITES CONTERA PHARMA APS (DK) 2015-12-30 WO claimed
US-20150359566-A1 THERAPEUTIC SUBSTANCE TRANSFER CATHETER AND METHOD SILLENDER MARK (US) 2015-12-17 US claimed
EP-2953678-A1 THERAPEUTIC SUBSTANCE TRANSFER CATHETER AND METHOD Sillender, Mark (AU) 2015-12-16 EP claimed
EP-2953558-A1 EMBRYO TRANSFER CATHETER AND METHOD Sillender, Mark (AU) 2015-12-16 EP claimed
US-20150342642-A1 EMBRYO TRANSFER CATHETER AND METHOD SILLENDER MARK (US) 2015-12-03 US claimed
WO-2015051336-A1 COMPOSITIONS AND METHODS FOR TREATING PELVIC PAIN AND OTHER CONDITIONS WISE DAVID (US) 2015-04-09 WO claimed
WO-2014121333-A1 EMBRYO TRANSFER CATHETER AND METHOD SILLENDER MARK (AU) 2014-08-14 WO claimed
WO-2014121332-A1 THERAPEUTIC SUBSTANCE TRANSFER CATHETER AND METHOD SILLENDER MARK (AU) 2014-08-14 WO claimed
US-20100034884-A1 LUMINESCENT CONDUCTING NANO-DRUG CRYSTAL ULTRA-THIN FILM SELF-ASSEMBLY AND USES ZHONGSHAN HOSPITAL, FUDAN UNIVERSITY (CN) 2010-02-11 US claimed
US-7125559-B2 Cosmetic or dermatological composition comprising a combination of an elastase inhibitor of the N-acylaminoamide family and at least one myorelaxing agent L'OREAL (FR) 2006-10-24 US claimed
US-20240228520-A9 PHOSPHORUS PRODRUGS OF PYRAZOLO-SUBSTITUTED PYRIMIDINE SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2024-07-11 US disclosed
WO-1992000729-A1 DOSAGE FORM FOR ADMINISTERING A DRUG TO EFFECT CIRCADIAN THERAPY ALZA CORPORATION (US) 1992-01-23 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 (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-20200087367-A1 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE BMPR2, BMPR1B, BMP1 DPP4 417/4885F2 1642/4885HTR2A 2718/4885
US-10639308-B2 sGC stimulators PTGIS, CGAS, GUCY1A1 DPP4 4670/4885F2 3090/4885HTR2A 1726/4885
US-20240228520-A9 PHOSPHORUS PRODRUGS OF PYRAZOLO-SUBSTITUTED PYRIMIDINE SGC STIMULATORS P2RY1, P2RY11, GMPS DPP4 2774/4885F2 2612/4885HTR2A 1935/4885

“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.