SCHEMBL19965770

SCHEMBL19965770

O=C(c1ccccc1)N1CCc2[nH]c3c(c2C1)CN(C(=O)c1ccccc1)CC3

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
MTHFD2 P13995 4/20 0.52
CFTR P13569 1/20 0.52
CYP2C9 P11712 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
BAZ2B Q9UIF8 1/20 0.50
TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL3079170 0.86 MAPT (0.71) MTHFD2CFTRCYP2C9LMNAMAPT
SCHEMBL31117575 0.79 TRPV1 (0.68) CFTRLMNAMAPTBAZ2BTRPV1
SCHEMBL31117415 0.79 BAZ2B (0.72) CFTRHPGDLMNAMAPTBAZ2B
SCHEMBL6492381 0.78 CDK4 (0.63) MTHFD2CFTRLMNAMAPTBAZ2B
SCHEMBL10818765 0.78 BRD4 (0.70) LMNA
SCHEMBL9042720 0.77 CFTR (0.49) MTHFD2CFTRLMNAMAPTBAZ2B
SCHEMBL10139827 0.77 CFTR (0.52) MTHFD2CFTRCYP2C9PTGDR2LMNA
SCHEMBL6335099 0.77 CDK4 (0.76) TRPV1
SCHEMBL7469385 0.76 HPGD (0.56) SIGMAR1MTHFD2CYP2C9PTGDR2HPGD
SCHEMBL31117450 0.76 TRPV1 (0.60) CFTRLMNAMAPTBAZ2BTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654862-B2 Methods for the chemical synthesis of pyrrole-linked bivalent compounds, and compositions thereof AVEKSHAN, LLC. (US) 2020-05-19 US disclosed
US-20190161491-A1 METHODS FOR THE CHEMICAL SYNTHESIS OF PYRROLE-LINKED BIVALENT COMPOUNDS, AND COMPOSITIONS THEREOF AVEKSHAN, LLC. 2019-05-30 US disclosed
US-10253034-B2 Methods for the chemical synthesis of pyrrole-linked bivalent compounds, and compositions thereof AVEKSHAN, LLC. (US) 2019-04-09 US disclosed
US-20180072747-A1 METHODS FOR THE CHEMICAL SYNTHESIS OF PYRROLE-LINKED BIVALENT COMPOUNDS, AND COMPOSITIONS THEREOF AVEKSHAN, LLC. 2018-03-15 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 (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-10253034-B2 Methods for the chemical synthesis of pyrrole-linked bivalent compounds, and compositions thereof PAICS, TET3, PIN1 SIGMAR1 4622/4885MTHFD2 32/4885CFTR 4856/4885
US-10654862-B2 Methods for the chemical synthesis of pyrrole-linked bivalent compounds, and compositions thereof PAICS, TET3, PIN1 SIGMAR1 4622/4885MTHFD2 32/4885CFTR 4856/4885
US-20180072747-A1 METHODS FOR THE CHEMICAL SYNTHESIS OF PYRROLE-LINKED BIVALENT COMPOUNDS, AND COMPOSITIONS THEREOF PAICS, TET3, PIN1 SIGMAR1 4622/4885MTHFD2 32/4885CFTR 4856/4885
US-20190161491-A1 METHODS FOR THE CHEMICAL SYNTHESIS OF PYRROLE-LINKED BIVALENT COMPOUNDS, AND COMPOSITIONS THEREOF PAICS, TET3, PIN1 SIGMAR1 4622/4885MTHFD2 32/4885CFTR 4856/4885

“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.