SCHEMBL6991143

SCHEMBL6991143

O=C(c1c(-c2ccccc2)ccnc1Cl)N(CCO)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ LIMK2 P53671 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TACR1 P25103 2/20 0.40
▸ LPAR1 Q92633 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ GPBAR1 Q8TDU6 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
SCHEMBL6989277 0.92 MEN1 (0.45) L3MBTL1LIMK2MEN1KMT2AALDH1A1
SCHEMBL27504856 0.91 L3MBTL1 (0.43) L3MBTL1LIMK2MEN1KMT2AALDH1A1
SCHEMBL6994555 0.89 CENPE (0.39) L3MBTL1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL6990538 0.86 TACR1 (0.59) TACR1GPBAR1
SCHEMBL7089304 0.84 RAF1 (0.47) L3MBTL1MEN1KMT2AALDH1A1LPAR1
SCHEMBL6991045 0.84 TP53 (0.48) ALDH1A1TDP1TACR1LPAR1
SCHEMBL6988032 0.83 TACR1 (0.39) L3MBTL1MEN1KMT2AALDH1A1TDP1
SCHEMBL6991831 0.83 TACR1 (0.39) L3MBTL1MEN1KMT2AALDH1A1TDP1
SCHEMBL6988027 0.83 TACR1 (0.39) L3MBTL1MEN1KMT2AALDH1A1TDP1
SCHEMBL6990714 0.80 TACR1 (0.57) TACR1GPBAR1

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 12 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
EP-1145714-A1 DRUGS Takeda Chemical Industries, Ltd. (JP) 2001-10-17 — — EP disclosed
CN-1291099-A Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-11 — — CN disclosed
EP-1061926-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-12-27 — — EP disclosed
US-6147071-A TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-11-14 — — US disclosed
WO-1999047132-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-23 — — WO 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 L3MBTL1 3929/4885LIMK2 3720/4885MEN1 669/4885

“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.

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