SCHEMBL4772628

SCHEMBL4772628

CC1(C)CC(c2ccc(Br)cc2)C1(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 12/20 0.49
RCOR1 Q9UKL0 7/20 0.49
LIG1 P18858 1/20 0.44
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.40
MAOB P27338 4/20 0.38
KCNH2 Q12809 2/20 0.38
KDM1B Q8NB78 1/20 0.38
BRD4 O60885 1/20 0.37
MDM2 Q00987 1/20 0.37
MAOA P21397 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL20149044 0.80 KDM1A (0.53) KDM1ARCOR1LIG1TSHRHSD17B10
Formaldehyde SCHEMBL28031926 0.75 KDM1A (0.49) KDM1ARCOR1LIG1TSHRHSD17B10
SCHEMBL10071235 0.72 KDM1A (0.42) KDM1ARCOR1LIG1TSHRHSD17B10
SCHEMBL17028570 0.71 KDM1A (0.48) KDM1ARCOR1LIG1TSHRHSD17B10
SCHEMBL4769316 0.71 KDM1A (0.44) KDM1ARCOR1LIG1TSHRHSD17B10
SCHEMBL8039628 0.70 TSHR (0.47) KDM1ARCOR1LIG1TSHRHSD17B10
SCHEMBL8031930 0.69 KDM1A (0.44) KDM1ARCOR1LIG1TSHRHSD17B10
SCHEMBL23198894 0.68 LIG1 (0.46) KDM1ARCOR1LIG1TSHRHSD17B10
SCHEMBL19513959 0.68 TSHR (0.43) KDM1ARCOR1LIG1TSHRHSD17B10
SCHEMBL19518661 0.68 TSHR (0.43) KDM1ARCOR1LIG1TSHRHSD17B10

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 KDM1A 527/4885RCOR1 382/4885LIG1 1666/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM1A 340/4885RCOR1 198/4885LIG1 632/4885

“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.