SCHEMBL6989439

SCHEMBL6989439

COc1cc(CN(CCCO)C(=O)c2c(-c3ccccc3)ccnc2Cl)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.48
▸ TP53 P04637 3/20 0.47
▸ ACKR3 P25106 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ THRB P10828 2/20 0.41
▸ RAF1 P04049 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ TACR1 P25103 1/20 0.39

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
SCHEMBL6991045 0.94 TP53 (0.48) LPAR1TP53KDM4EALDH1A1TDP1
SCHEMBL7778427 0.86 TP53 (0.46) LPAR1TP53KDM4EALDH1A1TDP1
SCHEMBL7089304 0.85 RAF1 (0.47) LPAR1TP53KDM4EALDH1A1POLB
SCHEMBL6990714 0.81 TACR1 (0.57) TACR1
SCHEMBL6991143 0.79 L3MBTL1 (0.48) LPAR1ALDH1A1TDP1TACR1
SCHEMBL6994555 0.75 CENPE (0.39) ALDH1A1TACR1
SCHEMBL6990538 0.75 TACR1 (0.59) TACR1
SCHEMBL6989277 0.74 MEN1 (0.45) LPAR1ALDH1A1POLBMAPTTACR1
SCHEMBL6991745 0.72 TACR1 (0.57) TACR1
SCHEMBL27504856 0.71 L3MBTL1 (0.43) LPAR1ALDH1A1TDP1

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
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
CN-1291099-A Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-11 — — CN disclosed
US-6147071-A TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-11-14 — — US disclosed
US-5770590-A EXCELLENT TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 — — US disclosed
CN-1140172-A Cyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-01-15 — — CN 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 (1 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-20020132817-A1 Heterocyclic compounds, their production and use CRH, CRHR1, CRHR2 LPAR1 641/4885TP53 4794/4885ACKR3 254/4885

“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.

Send feedback