SCHEMBL4770137

SCHEMBL4770137

CCN1CCN(c2nc(N)cc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
GBA1 P04062 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
PAX8 Q06710 1/20 0.51
CYP2D6 P10635 2/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
TSHR P16473 1/20 0.46
HRH4 Q9H3N8 2/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL177816 0.84 HTR3A (0.61) GBA1LMNAHRH4ALDH1A1
SCHEMBL4763429 0.83 SMN1; SMN2 (0.53) SMN1; SMN2GBA1POLBHPGDHTT
SCHEMBL4772199 0.83 KMT2A (0.54) SMN1; SMN2GBA1POLBHPGDHTT
SCHEMBL4773872 0.82 SMN1; SMN2 (0.47) SMN1; SMN2GBA1POLBHPGDHTT
SCHEMBL29124131 0.82 NCF1 (0.50) SMN1; SMN2HPGDMAPTKMT2ACYP1A2
Hydrochloric Acid SCHEMBL4769154 0.81 SMN1; SMN2 (0.46) SMN1; SMN2GBA1POLBHPGDHTT
SCHEMBL4262506 0.80 NCF1 (0.56) SMN1; SMN2HPGDHTTLMNAMAPT
SCHEMBL4772149 0.79 HRH4 (0.56) SMN1; SMN2GBA1POLBHPGDHTT
SCHEMBL4769411 0.79 CHRNA7 (0.59) SMN1; SMN2GBA1POLBHPGDHTT
SCHEMBL12215244 0.78 HTR2C (0.59) HPGDCYP2D6LMNAMAPTCYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 SMN1; SMN2 27/4885GBA1 4305/4885POLB 3161/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SMN1; SMN2 37/4885GBA1 4235/4885POLB 3192/4885

“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.