SCHEMBL6801280

SCHEMBL6801280

CCC1CCn2c(c(-c3ccc(Cl)c(Cl)c3)c3cccnc3c2=O)C(=O)N(Cc2cc(OC)cc(OC)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.52
PDE4A P27815 8/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
TNIK Q9UKE5 2/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7783707 0.91 TACR1 (0.62) TACR1PDE4AROCK2ROCK1TNIK
SCHEMBL6800012 0.91 TACR1 (0.62) TACR1PDE4AROCK2ROCK1TNIK
SCHEMBL6795400 0.91 TACR1 (0.51) TACR1PDE4AROCK2ROCK1TNIK
SCHEMBL6788387 0.83 TACR1 (0.66) TACR1PDE4AROCK2ROCK1
SCHEMBL6795274 0.81 TACR1 (0.76) TACR1PDE4AROCK2ROCK1TNIK
SCHEMBL7785041 0.81 TACR1 (0.76) TACR1PDE4AROCK2ROCK1TNIK
SCHEMBL6799162 0.81 TACR1 (0.69) TACR1PDE4A
SCHEMBL7783700 0.81 TACR1 (0.67) TACR1PDE4AROCK2ROCK1TNIK
SCHEMBL6788330 0.81 TACR1 (0.67) TACR1PDE4AROCK2ROCK1TNIK
SCHEMBL6801261 0.80 TACR1 (0.68) TACR1PDE4AROCK2ROCK1TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058914-A1 Combination drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
US-20040023843-A1 Preventives/remedies for emotional disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-05 US disclosed
EP-1352659-A1 COMBINATION DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-15 EP disclosed
EP-1323429-A1 PREVENTIVES/REMEDIES FOR EMOTIONAL DISORDERS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP disclosed
EP-1145714-A1 DRUGS Takeda Chemical Industries, Ltd. (JP) 2001-10-17 EP 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 (2 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-20040023843-A1 Preventives/remedies for emotional disorders MTNR1A, KISS1R, MTNR1B TACR1 12/4885PDE4A 419/4885ROCK2 4150/4885
US-20040058914-A1 Combination drugs CHRNA1, CHRNA2, CHRM2 TACR1 39/4885PDE4A 3474/4885ROCK2 753/4885

“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.