SCHEMBL21621771

SCHEMBL21621771

Cc1cccc2[nH]c3c(c12)CNCC3

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
SIRT2 Q8IXJ6 1/20 0.50
HTR2A P28223 2/20 0.46
HTR2C P28335 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HTR5A P47898 1/20 0.45
NISCH Q9Y2I1 1/20 0.45
NR2E1 Q9Y466 1/20 0.45
PARP1 P09874 1/20 0.43
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
CFTR P13569 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PNMT P11086 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
SCHEMBL31020970 1.00 TAAR1 (0.55) TAAR1SIRT2HTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL23828286 0.98 TAAR1 (0.58) TAAR1SIRT2HTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL10407659 0.86 NISCH (0.55) TAAR1SIRT2HTR2AHTR2CKDM4E
SCHEMBL18345713 0.81 TAAR1 (0.55) TAAR1SIRT2HTR2AHTR2CKDM4E
SCHEMBL2241341 0.81 TAAR1 (0.55) TAAR1SIRT2HTR2AHTR2CKDM4E
SCHEMBL4791996 0.81 TAAR1 (0.47) TAAR1SIRT2HTR2AHTR2CKDM4E
SCHEMBL28549389 0.78 SMN1; SMN2 (0.50) KDM4EPARP1CFTRALDH1A1
SCHEMBL28559488 0.78 SMN1; SMN2 (0.50) KDM4EPARP1CFTRALDH1A1
SCHEMBL2247075 0.78 TAAR1 (0.49) TAAR1SIRT2HTR2AHTR2CKDM4E
SCHEMBL4793856 0.77 SIRT2 (0.47) TAAR1SIRT2HTR2AHTR2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 EP disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 US disclosed
WO-2020012427-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-01-16 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 (1 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-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 TAAR1 3882/4885SIRT2 3850/4885HTR2A 4011/4885

“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.