SCHEMBL4765648

SCHEMBL4765648

CCN1CCN(c2nc(CNc3ccc(OC)cc3)cc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALOX12 P18054 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43

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
Oxalic Acid SCHEMBL4769392 0.94 MCHR1 (0.47) MAPTKMT2AGAAMCHR1ALDH1A1
SCHEMBL4775573 0.84 PRMT5 (0.46) MAPTKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL6724748 0.83 SMN1; SMN2 (0.45) MAPTKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL4763521 0.83 SMPD1 (0.43) KMT2AMCHR1ALDH1A1SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL4769084 0.83 PRMT5 (0.45) MAPTKMT2AGAAALDH1A1HTT
SCHEMBL4765373 0.81 HRH4 (0.50) MCHR1LMNATLR9TLR7
SCHEMBL4763566 0.79 HRH3 (0.48) MAPTKMT2AGAAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4770729 0.78 HRH3 (0.47) MAPTKMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL4774077 0.77 SMN1; SMN2 (0.46) MAPTKMT2AHTTSMN1; SMN2LMNA
Oxalic Acid SCHEMBL4769292 0.77 MCHR1 (0.49) MCHR1KDRTLR9TLR7

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
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
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-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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 MAPT 1892/4885KMT2A 1240/4885GAA 4736/4885

“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.