SCHEMBL6799323

SCHEMBL6799323

Cc1ccc(-c2c3n(c(=O)c4ncccc24)CC[C@@H](C)CN(Cc2cc(OCc4ccccc4)cc(OCc4ccccc4)c2)C3=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.72
PDE4A P27815 2/20 0.38
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GRM5 P41594 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM2 Q14416 1/20 0.34
MAPT P10636 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
SCHEMBL6794855 0.92 TACR1 (0.75) TACR1PDE4AKCNH2
SCHEMBL7785041 0.91 TACR1 (0.76) TACR1PDE4A
SCHEMBL6795274 0.91 TACR1 (0.76) TACR1PDE4A
SCHEMBL6788478 0.91 TACR1 (0.78) TACR1PDE4AALDH1A1MEN1KMT2A
SCHEMBL7783688 0.91 TACR1 (0.78) TACR1PDE4AALDH1A1MEN1KMT2A
SCHEMBL6794219 0.91 TACR1 (0.78) TACR1PDE4AALDH1A1MEN1KMT2A
SCHEMBL6796879 0.89 TACR1 (0.73) TACR1PDE4A
SCHEMBL7785047 0.89 TACR1 (0.73) TACR1PDE4A
SCHEMBL6795983 0.88 TACR1 (0.82) TACR1PDE4A
SCHEMBL7785158 0.88 TACR1 (0.82) TACR1PDE4A

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 4 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

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 419/4885KCNH2 894/4885
US-20040058914-A1 Combination drugs CHRNA1, CHRNA2, CHRM2 TACR1 39/4885PDE4A 3474/4885KCNH2 78/4885

“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.