SCHEMBL1424816

SCHEMBL1424816

O=C(Nc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.83
KMT2A Q03164 2/20 0.83
DRD2 P14416 2/20 0.83
DRD3 P35462 2/20 0.83
ALDH1A1 P00352 4/20 0.77
POLB P06746 1/20 0.77
SIGMAR1 Q99720 4/20 0.73
SLC6A12 P48065 1/20 0.70
TMEM97 Q5BJF2 1/20 0.70
MCHR1 Q99705 1/20 0.70
RECQL P46063 1/20 0.70
KDM4E B2RXH2 1/20 0.69
DCUN1D1 Q96GG9 4/20 0.67
UBE2M P61081 2/20 0.67
HTT P42858 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CCR3 P51677 2/20 0.64

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
SCHEMBL31616382 0.93 CCR3 (0.74) DRD4KMT2ADRD2DRD3ALDH1A1
SCHEMBL31616363 0.93 CCR3 (0.74) DRD4KMT2ADRD2DRD3ALDH1A1
SCHEMBL9078087 0.91 DRD4 (1.00) DRD4KMT2ADRD2DRD3ALDH1A1
SCHEMBL18657866 0.89 DRD4 (0.85) DRD4KMT2ADRD2DRD3ALDH1A1
SCHEMBL12677059 0.89 DRD4 (0.85) DRD4KMT2ADRD2DRD3ALDH1A1
SCHEMBL12677054 0.87 KMT2A (1.00) DRD4KMT2ADRD2DRD3ALDH1A1
SCHEMBL18657999 0.87 DRD4 (0.81) DRD4KMT2ADRD2DRD3ALDH1A1
SCHEMBL22820100 0.83 SIGMAR1 (0.67) DRD4KMT2ADRD2DRD3ALDH1A1
SCHEMBL14433853 0.83 KMT2A (0.79) DRD4KMT2ADRD2DRD3ALDH1A1
SCHEMBL5862050 0.82 SIGMAR1 (1.00) SIGMAR1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-01-19 US disclosed
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-09-14 US disclosed
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-03-11 US disclosed
WO-2017049295-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-03-23 WO disclosed
EP-1140836-B1 AMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2011-03-23 EP disclosed
US-6710043-B1 POSSESS THE POTENTIATION OF THE CHOLINERGIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-23 US disclosed
US-20040014745-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-01-22 US disclosed
EP-1235575-A2 AGENT FOR EXPRESSION OF LONG-TERM POTENTIATION OF SYNAPTIC TRANSMISSION COMPRISING COMPOUND HAVING BRAIN SOMATOSTATIN ACTIVATION PROPERTY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-04 EP disclosed
WO-2000072834-A9 AGENT FOR EXPRESSION OF LONG-TERM POTENTIATION OF SYNAPTIC TRANSMISSION COMPRISING COMPOUND HAVING BRAIN SOMATOSTATIN ACTIVATION PROPERTY FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-20 WO disclosed
WO-2000072834-A2 AGENT FOR EXPRESSION OF LONG-TERM POTENTIATION OF SYNAPTIC TRANSMISSION COMPRISING COMPOUND HAVING BRAIN SOMATOSTATIN ACTIVATION PROPERTY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-07 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 (4 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-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 DRD4 2929/4885KMT2A 2316/4885DRD2 4060/4885
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 DRD4 2929/4885KMT2A 2316/4885DRD2 4060/4885
US-20040014745-A1 Amide compounds CHRM1, CHRM2, CHRNE DRD4 323/4885KMT2A 1224/4885DRD2 177/4885
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 DRD4 2929/4885KMT2A 2316/4885DRD2 4060/4885

“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.