SCHEMBL22075231

SCHEMBL22075231

Fc1ccc(Cl)cc1-c1[nH]cnc1-c1ccc2ncc(N3CCCNCC3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 6/20 0.49
▸ CHRNA4 P43681 6/20 0.49
▸ MET P08581 2/20 0.43
▸ HTR6 P50406 4/20 0.41
▸ HTR1A P08908 3/20 0.41
▸ HTR1D P28221 3/20 0.41
▸ HTR7 P34969 3/20 0.41
▸ HTR2B P41595 3/20 0.41
▸ HTR3A P46098 3/20 0.41
▸ CDK6 Q00534 6/20 0.40
▸ PIM1 P11309 4/20 0.40
▸ CHRNA1 P02708 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38

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
SCHEMBL22074805 0.96 HTR6 (0.44) CHRNB2CHRNA4METHTR6HTR1A
SCHEMBL22075362 0.87 CHRNB2 (0.44) CHRNB2CHRNA4HTR6HTR1AHTR1D
SCHEMBL22075128 0.87 CHRNB2 (0.48) CHRNB2CHRNA4METHTR6HTR1A
SCHEMBL22075137 0.83 HTR6 (0.43) CHRNB2CHRNA4METHTR6HTR1A
SCHEMBL22075322 0.83 HTR6 (0.40) CHRNB2CHRNA4HTR6HTR3ACDK6
SCHEMBL22075389 0.80 ACVR1 (0.42) METHTR6CNR1CNR2KCNH2
SCHEMBL22074885 0.80 CHRNB2 (0.52) CHRNB2CHRNA4METHTR6HTR1A
SCHEMBL22075101 0.79 MET (0.47) METCDK6CNR1CNR2KCNH2
SCHEMBL22075102 0.79 MET (0.47) METCDK6CNR1CNR2KCNH2
SCHEMBL23416631 0.77 MAPK14 (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 — — US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 — — US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 — — US disclosed
US-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — US disclosed
US-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — US disclosed
US-10952996-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-23 — — US disclosed
US-10952996-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-23 — — US disclosed
US-20200188370-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 — — US disclosed
US-20200188370-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 — — 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-10952996-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 CHRNB2 851/4885CHRNA4 1377/4885MET 105/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 CHRNB2 851/4885CHRNA4 1377/4885MET 105/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 CHRNB2 851/4885CHRNA4 1377/4885MET 105/4885
US-20200188370-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 CHRNB2 851/4885CHRNA4 1377/4885MET 105/4885

“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.

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