SCHEMBL6791472

SCHEMBL6791472

COc1cc(CN2C[C@H](C)CCn3c(c(-c4ccc(C)cc4)c4cccnc4c3=O)C2=O)cc(OC)c1OC

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.75
LMNA P02545 1/20 0.41
PDE4A P27815 4/20 0.40
SYK P43405 1/20 0.36
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL6796917 1.00 TACR1 (0.75) TACR1LMNAPDE4ASYKLIPG
SCHEMBL7783090 1.00 TACR1 (0.75) TACR1LMNAPDE4ASYKLIPG
SCHEMBL6795274 0.91 TACR1 (0.76) TACR1PDE4A
SCHEMBL7785041 0.91 TACR1 (0.76) TACR1PDE4A
SCHEMBL7785158 0.90 TACR1 (0.82) TACR1PDE4A
SCHEMBL6795983 0.90 TACR1 (0.82) TACR1PDE4A
SCHEMBL7785024 0.89 TACR1 (0.80) TACR1PDE4A
SCHEMBL6789759 0.89 TACR1 (0.80) TACR1PDE4A
SCHEMBL7783103 0.88 TACR1 (0.79) TACR1PDE4A
SCHEMBL6794210 0.88 TACR1 (0.79) 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 11 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-0733632-B1 Cyclic compounds, their production and use as tachykinin receptor antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-06-04 EP disclosed
US-6489315-B1 NOVEL CYCLIC COMPOUNDS HAVING AN EXCELLENT TACHYKININ RECEPTOR ANTAGONISTIC EFFECT, AND A METHOD FOR PRODUCING THEM, FOR TREATING DISORDERS OF INCONTINENCE, ASTHMA, MIGRAINE, IRRITABLE BOWEL SYNDROME, PAIN, COUGH OR EMESIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-03 US disclosed
US-20020132817-A1 Heterocyclic compounds, their production and use NATSUGARI HIDEAKI (JP) 2002-09-19 US disclosed
EP-1184036-A2 Heterocyclic compounds, their production and use as tachykinin receptor antagonists Takeda Chemical Industries, Ltd. (JP) 2002-03-06 EP disclosed
EP-1145714-A1 DRUGS Takeda Chemical Industries, Ltd. (JP) 2001-10-17 EP disclosed
US-6147071-A TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-11-14 US disclosed
EP-0733632-A1 Cyclic compounds, their production and use as tachykinin receptor antagonists Takeda Chemical Industries, Ltd. (JP) 1996-09-25 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 (3 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 12/4885LMNA 3682/4885PDE4A 419/4885
US-20020132817-A1 Heterocyclic compounds, their production and use CRH, CRHR1, CRHR2 TACR1 97/4885LMNA 1395/4885PDE4A 3673/4885
US-20040058914-A1 Combination drugs CHRNA1, CHRNA2, CHRM2 TACR1 39/4885LMNA 2771/4885PDE4A 3474/4885

“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.