SCHEMBL4769840

SCHEMBL4769840

CCN1CCN(c2nc(-c3ccc(C4=CCOCC4)cc3)cc3ccsc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.37
MTOR P42345 3/20 0.37
ENPP2 Q13822 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
GBA1 P04062 1/20 0.35
POLB P06746 1/20 0.35
PAX8 Q06710 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 3/20 0.35
HTR1D P28221 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3R1 P27986 1/20 0.33

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
Hydrochloric Acid SCHEMBL4793378 0.99 PIK3CA (0.37) PIK3CAMTORENPP2SMN1; SMN2HPGD
SCHEMBL4764370 0.82 SMN1; SMN2 (0.43) SMN1; SMN2HPGDHTTGBA1POLB
Hydrochloric Acid SCHEMBL4775411 0.81 SMN1; SMN2 (0.43) SMN1; SMN2HPGDHTTGBA1POLB
SCHEMBL4773526 0.81 FGFR1 (0.41) PIK3CAMTORSMN1; SMN2HPGDHTT
SCHEMBL4775425 0.81 DRD2 (0.37) SMN1; SMN2HPGDHTTGBA1POLB
Hydrochloric Acid SCHEMBL4771072 0.80 DRD2 (0.36) SMN1; SMN2HPGDHTTGBA1POLB
SCHEMBL4764263 0.79 HRH3 (0.49) SMN1; SMN2HPGDPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL4774204 0.79 HRH3 (0.48) SMN1; SMN2HPGDPOLBMEN1KMT2A
SCHEMBL4768885 0.78 SYK (0.45) PIK3CAMTORSYK
SCHEMBL4772505 0.78 RXFP1 (0.46) SMN1; SMN2MEN1KMT2ARXFP1KDM4E

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-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 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
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 PIK3CA 2853/4885MTOR 1040/4885ENPP2 4029/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PIK3CA 3278/4885MTOR 2050/4885ENPP2 4088/4885

“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.