SCHEMBL896529

SCHEMBL896529

C#CC(Cc1ccccc1)NCC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.56
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 2/20 0.51
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAOB P27338 4/20 0.45
TAAR1 Q96RJ0 2/20 0.41
SLC18A2 Q05940 1/20 0.41
MAOA P21397 3/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1A P35348 1/20 0.41
SNCA P37840 1/20 0.41
OPRK1 P41145 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7800224 0.83 SIGMAR1 (0.53) SIGMAR1CYP1A2CYP2D6TSHRCYP3A4
SCHEMBL4314476 0.81 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2D6TSHRCYP3A4
SCHEMBL8340029 0.81 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2D6TSHRCYP3A4
SCHEMBL3177171 0.77 ACE (0.47) CYP1A2CYP2D6TSHRCYP3A4
SCHEMBL3168675 0.76 PPID (0.50) CYP1A2CYP2D6TSHRCYP3A4PKM
SCHEMBL3161568 0.76 CYP1A2 (0.43) CYP1A2CYP2D6TSHRCYP3A4MAOB
SCHEMBL27173944 0.74 SIGMAR1 (0.67) SIGMAR1TAAR1SLC18A2
SCHEMBL3171857 0.73 TSHR (0.51) SIGMAR1CYP1A2CYP2D6TSHRCYP3A4
SCHEMBL17865679 0.73 CTSC (0.50) CYP1A2CYP2D6TSHRCYP3A4PKM
SCHEMBL4901736 0.73 CTSC (0.50) CYP1A2CYP2D6TSHRCYP3A4PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed
US-20160340308-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-24 US disclosed
US-9440922-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-13 US disclosed
EP-2441753-B1 TETRACYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-03-30 EP disclosed
EP-2975024-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-20 EP disclosed
US-9126931-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-09-08 US disclosed
US-20150150845-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 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 (5 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 SIGMAR1 3728/4885CYP1A2 2961/4885CYP2D6 836/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 SIGMAR1 3728/4885CYP1A2 2961/4885CYP2D6 836/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 SIGMAR1 3728/4885CYP1A2 2961/4885CYP2D6 836/4885
US-20160340308-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 SIGMAR1 3728/4885CYP1A2 2961/4885CYP2D6 836/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 SIGMAR1 3728/4885CYP1A2 2961/4885CYP2D6 836/4885

“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.