SCHEMBL4769249

SCHEMBL4769249

c1ccc(COCCCc2cccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
CHRNA7 P36544 2/20 0.55
CYP2A6 P11509 1/20 0.54
PTAFR P25105 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HRH1 P35367 2/20 0.51
TBXAS1 P24557 7/20 0.51
SERPINE1 P05121 1/20 0.47

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
SCHEMBL27708002 0.86 TBXAS1 (0.52) HRH4HRH3CHRNA7CYP2A6PTAFR
SCHEMBL4069939 0.82 TDP1 (0.64) HRH4HRH3TDP1L3MBTL1
SCHEMBL14524266 0.81 TDP1 (0.64) HRH4HRH3CHRNA7CYP2A6PTAFR
SCHEMBL27581879 0.81 CYP2A6 (0.56) HRH4HRH3CHRNA7CYP2A6PTAFR
SCHEMBL10670119 0.80 CYP2A6 (0.54) HRH4HRH3CHRNA7CYP2A6PTAFR
SCHEMBL8906004 0.80 CYP2A6 (0.54) HRH4HRH3CHRNA7CYP2A6PTAFR
SCHEMBL4774923 0.80 CYP2A6 (0.69) HRH4HRH3CHRNA7CYP2A6PTAFR
SCHEMBL2088563 0.80 CYP2A6 (0.54) HRH4HRH3CHRNA7CYP2A6PTAFR
SCHEMBL20412275 0.80 CYP2A6 (0.74) HRH4HRH3CHRNA7CYP2A6PTAFR
SCHEMBL8200325 0.80 CYP2A6 (0.68) HRH4HRH3CHRNA7CYP2A6TDP1

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
US-10894772-B2 Flavor modulator having pyridine derivative or salt thereof as active ingredient T. HASEGAWA CO., LTD. (JP) 2021-01-19 US disclosed
US-10882823-B2 Flavor modulator having pyridine derivative or salt thereof as active ingredient T. HASEGAWA CO., LTD. (JP) 2021-01-05 US disclosed
US-10836724-B2 2020-11-17 US disclosed
US-20180072670-A1 FLAVOR MODULATOR HAVING PYRIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT T. HASEGAWA CO., LTD. (JP) 2018-03-15 US disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (6 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-10894772-B2 Flavor modulator having pyridine derivative or salt thereof as active ingredient TAS2R38, TAS1R1, TAS2R8 HRH4 1127/4885HRH3 2015/4885CHRNA7 2546/4885
US-10836724-B2 TAS2R8, TAS2R38, IPO8 HRH4 2269/4885HRH3 2735/4885CHRNA7 2424/4885
US-10882823-B2 Flavor modulator having pyridine derivative or salt thereof as active ingredient TAS2R38, TAS1R1, TAS2R8 HRH4 1127/4885HRH3 2015/4885CHRNA7 2546/4885
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 HRH4 205/4885HRH3 191/4885CHRNA7 11/4885
US-20180072670-A1 FLAVOR MODULATOR HAVING PYRIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT TAS2R38, TAS1R1, TAS2R8 HRH4 1127/4885HRH3 2015/4885CHRNA7 2546/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HRH4 213/4885HRH3 110/4885CHRNA7 38/4885

“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.