SCHEMBL22236804

SCHEMBL22236804

Cc1ccc(-c2cncc(N3CCNCC3)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.58
ADRB1 P08588 1/20 0.57
ACVR1 Q04771 2/20 0.55
ACVR1B P36896 1/20 0.55
CHRNB2 P17787 5/20 0.54
CHRNA4 P43681 5/20 0.54
HTR1A P08908 2/20 0.54
HTR1D P28221 2/20 0.54
HTR1B P28222 2/20 0.54
HTR7 P34969 2/20 0.54
HTR2B P41595 2/20 0.54
HTR6 P50406 2/20 0.54
HTR5A P47898 1/20 0.54
HTR2A P28223 1/20 0.49
HTR3A P46098 1/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNA7 P36544 1/20 0.49

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
SCHEMBL17303103 0.85 TGFBR1 (0.65) TGFBR1ADRB1ACVR1ACVR1B
SCHEMBL18790712 0.85 HTR1A (0.64) TGFBR1ACVR1ACVR1BCHRNB2CHRNA4
SCHEMBL22236832 0.85 CHRNB2 (0.67) TGFBR1ADRB1ACVR1ACVR1BCHRNB2
SCHEMBL3453352 0.84 HTR1A (0.66) TGFBR1ADRB1CHRNB2CHRNA4HTR1A
SCHEMBL6351651 0.84 ADRB2 (0.61) TGFBR1ACVR1ACVR1BCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3268024 0.83 HTR1A (0.64) TGFBR1ADRB1ACVR1ACVR1BCHRNB2
SCHEMBL11359435 0.80 CHRNB2 (0.64) ADRB1CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6351787 0.79 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL6350059 0.79 CHRNB2 (0.61) CHRNB2CHRNA4HTR1AHTR7HTR2B
SCHEMBL6348853 0.79 CHRNB2 (0.61) CHRNB2CHRNA4HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 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 (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-10717731-B2 Nitrogen-containing aromatic heterocyclic compound REN, NR3C2, NR5A1 TGFBR1 1219/4885ADRB1 275/4885ACVR1 259/4885

“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.