SCHEMBL12416591

SCHEMBL12416591

C(=N/c1ccccc1)\c1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.61
CYP3A4 P08684 3/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
MAPT P10636 6/20 0.58
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HPGD P15428 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 8/20 0.57
POLB P06746 1/20 0.55
KDM4E B2RXH2 5/20 0.52
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
TP53 P04637 1/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51

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
SCHEMBL16274602 1.00 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11556237 0.87 ALDH1A1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11559343 0.87 ALDH1A1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12416716 0.82 NPC1 (0.67) CYP1A2CYP3A4MAPTRAB9ANPC1
SCHEMBL4231718 0.80 GAA (0.59) CYP1A2CYP3A4MAPTRAB9ANPC1
SCHEMBL4231715 0.80 GAA (0.59) CYP1A2CYP3A4MAPTRAB9ANPC1
SCHEMBL20871099 0.80 GAA (0.59) CYP1A2CYP3A4MAPTRAB9ANPC1
SCHEMBL22198272 0.78 GRIN2D (0.70) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11774250 0.78 GRIN2D (0.70) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11774241 0.78 GRIN2D (0.70) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-2810941-B1 NOVEL PIPERINE DERIVATIVE AND USE THEREFOR INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIV (KR) 2017-03-15 EP disclosed
EP-2810941-B1 NOVEL PIPERINE DERIVATIVE AND USE THEREFOR INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIV (KR) 2017-03-15 EP disclosed
US-9321751-B2 Piperine derivatives and uses thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-26 US disclosed
US-9321751-B2 Piperine derivatives and uses thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-26 US disclosed
US-9321751-B2 Piperine derivatives and uses thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-26 US disclosed
US-20140371271-A1 NOVEL PIPERINE DERIVATIVES AND USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2014-12-18 US disclosed
US-20140371271-A1 NOVEL PIPERINE DERIVATIVES AND USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2014-12-18 US disclosed
US-20140371271-A1 NOVEL PIPERINE DERIVATIVES AND USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2014-12-18 US disclosed
EP-2810941-A1 NOVEL PIPERINE DERIVATIVE AND USE THEREFOR Industry-Academic Cooperation Foundation, Yonsei University (KR) 2014-12-10 EP disclosed
EP-2810941-A1 NOVEL PIPERINE DERIVATIVE AND USE THEREFOR Industry-Academic Cooperation Foundation, Yonsei University (KR) 2014-12-10 EP disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 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 (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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CYP1A2 3482/4885CYP3A4 1829/4885CYP2D6 3437/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CYP1A2 3482/4885CYP3A4 1829/4885CYP2D6 3437/4885
US-20140371271-A1 NOVEL PIPERINE DERIVATIVES AND USES THEREOF LIPC, PNLIP, PLIN5 CYP1A2 1292/4885CYP3A4 1515/4885CYP2D6 3633/4885

“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.