SCHEMBL749839

SCHEMBL749839

COC(C)CNCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MCHR1 Q99705 1/20 0.48
ANPEP P15144 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
MAOA P21397 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.42
CHRM2 P08172 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL3168512 0.82 MEN1 (0.50) BCHEALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL11265712 0.81 MTNR1A (0.54) BCHEALDH1A1CYP1A2CYP2D6MEN1
Hydrochloric Acid SCHEMBL2346825 0.80 LMNA (0.55) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL11148402 0.80 MCHR1 (0.57) BCHECYP1A2CYP2D6MEN1KMT2A
SCHEMBL9407510 0.79 MEN1 (0.56) BCHEALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL16264576 0.79 MEN1 (0.56) BCHEALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL2018449 0.79 MEN1 (0.56) BCHEALDH1A1CYP1A2CYP2D6MEN1
Hydrochloric Acid SCHEMBL21879620 0.78 ALDH1A1 (0.58) BCHEALDH1A1CYP1A2CYP2D6MEN1
Methoxymethane SCHEMBL10589288 0.77 MEN1 (0.64) BCHEALDH1A1MEN1KMT2ATDP1
SCHEMBL14629215 0.77 MEN1 (0.44) BCHEALDH1A1CYP1A2CYP2D6MEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023020457-A1 PYRIDAZINONE OR PYRIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-02-23 WO disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8101751-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-24 US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
US-7932384-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-04-26 US disclosed
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-09-23 US disclosed
US-20100222303-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-09-02 US disclosed
US-20100120758-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-05-13 US disclosed
US-20100081655-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-04-01 US disclosed
US-7671054-B1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-03-02 US disclosed
US-20100029630-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO Chongwae Pharma Corporation (KR) 2010-02-04 US disclosed
US-7585862-B2 Colorectal cancer, restenosis associated with angioplasty, polycystic kidney disease, aberrant angiogenesis disease, rheumatoid arthritis disease, tuberous sclerosis complex, Alzheimer's disease, excess hair growth or loss CHOONGWAE PHARMA CORPORATION (KR) 2009-09-08 US disclosed
US-7566711-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-07-28 US disclosed
US-7531320-B2 Modulation of β-catenin/TCF-activated transcription CHOONGWAE PHARMA CORPORATION (KR) 2009-05-12 US disclosed
US-7232822-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-06-19 US disclosed
US-20070043052-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-02-22 US disclosed
EP-0613458-A1 ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-09-07 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 (6 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-20100222303-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, WNT3, APC BCHE 3478/4885ALDH1A1 3409/4885CYP1A2 4403/4885
US-20100029630-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 BCHE 4032/4885ALDH1A1 4305/4885CYP1A2 4837/4885
US-20100120758-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 BCHE 4032/4885ALDH1A1 4305/4885CYP1A2 4837/4885
US-20070043052-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 BCHE 4032/4885ALDH1A1 4305/4885CYP1A2 4837/4885
US-20100081655-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 BCHE 4032/4885ALDH1A1 4305/4885CYP1A2 4837/4885
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, WNT3, APC BCHE 3478/4885ALDH1A1 3409/4885CYP1A2 4403/4885

“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.