SCHEMBL726569

SCHEMBL726569

CCc1c(C)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
KDM4E B2RXH2 2/20 0.41
AKR1B1 P15121 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
P2RX7 Q99572 4/20 0.38
POLB P06746 2/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL91356 0.85 TAAR1 (0.50) TAAR1KDM4EAKR1B1LMNASMN1; SMN2
SCHEMBL18568047 0.82 TAAR1 (0.45) TAAR1KDM4EAKR1B1LMNAPKM
SCHEMBL597056 0.82 CYP2A6 (0.45) TAAR1ALDH1A1NOS3NOS2
SCHEMBL13473756 0.81 PLA2G7 (0.41) TAAR1KDM4ELMNAPKMP2RX7
SCHEMBL9861759 0.81 TAAR1 (0.43) TAAR1KDM4EAKR1B1LMNAPKM
SCHEMBL20749239 0.80 CFTR (0.44) TAAR1KDM4EAKR1B1LMNAPKM
SCHEMBL14363074 0.79 IDO1 (0.43) TAAR1KDM4EAKR1B1LMNAPKM
SCHEMBL14567074 0.79 TAAR1 (0.41) TAAR1KDM4EAKR1B1LMNAPKM
SCHEMBL6358890 0.79 TAAR1 (0.41) TAAR1KDM4EAKR1B1LMNAPKM
SCHEMBL14127124 0.79 TAAR1 (0.41) TAAR1KDM4EAKR1B1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4729040-B2 2011-07-20 JP claimed
EP-1761574-A1 POLYMERIZATION PROCESS USING HYDROFLUOROCARBONS ExxonMobil Chemical Patents Inc. (US) 2007-03-14 EP claimed
WO-2006011868-A1 POLYMERIZATION PROCESSES USING HYDROFLUOROCARBONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-02-02 WO claimed
US-4140695-A Process for producing copper phthalocyanines IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1979-02-20 US claimed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
WO-2024077391-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2024-04-18 WO disclosed
US-20230399307-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE AMYGDALA NEUROSCIENCES, INC. (US) 2023-12-14 US disclosed
US-20230399315-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE AMYGDALA NEUROSCIENCES, INC. (US) 2023-12-14 US disclosed
US-20230271943-A1 COMPOUNDS AS DHODH INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-08-31 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
WO-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 US disclosed
US-20070225334-A1 Methods for treating cognitive and other disorders WYETH (US) 2007-09-27 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-7226950-B2 Sodium channel modulators THERAVANCE, INC. (US) 2007-06-05 US disclosed
US-5157182-A Conversion of ortho-ethyltoluene to indene AMOCO CORPORATION (US) 1992-10-20 US disclosed
US-4140695-A Process for producing copper phthalocyanines IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1979-02-20 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 (8 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-20230399315-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE ALDH1A1, ALDH2, ALDH3A1 TAAR1 146/4885KDM4E 924/4885AKR1B1 172/4885
US-20230399307-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE ALDH1A1, ALDH2, ALDH3A1 TAAR1 132/4885KDM4E 970/4885AKR1B1 190/4885
US-20070225334-A1 Methods for treating cognitive and other disorders CHAT, COMT, ACHE TAAR1 490/4885KDM4E 1655/4885AKR1B1 481/4885
US-20230271943-A1 COMPOUNDS AS DHODH INHIBITORS DHODH, DLD, DHRS9 TAAR1 4107/4885KDM4E 2099/4885AKR1B1 184/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS TAAR1 3437/4885KDM4E 2695/4885AKR1B1 1201/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R TAAR1 64/4885KDM4E 2362/4885AKR1B1 610/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD TAAR1 3353/4885KDM4E 2840/4885AKR1B1 619/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 TAAR1 2965/4885KDM4E 201/4885AKR1B1 3478/4885

“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.