SCHEMBL6871107

SCHEMBL6871107

O=C(NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1)c1cc(F)cc(-c2ccncc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT5B Q4FZB7 2/20 0.53
KMT5C Q86Y97 2/20 0.53
NSD2 O96028 1/20 0.50
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
BACE1 P56817 1/20 0.42
AR P10275 3/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.40
TGFBR1 P36897 1/20 0.40
NR4A2 P43354 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6861470 0.92 KMT5B (0.52) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6866294 0.91 KMT5B (0.51) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6867896 0.91 KMT5B (0.51) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6870394 0.91 KMT5B (0.61) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6870396 0.91 KMT5B (0.61) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6869399 0.91 KMT5B (0.50) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6861874 0.90 KMT5B (0.49) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6869974 0.89 KMT5B (0.58) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6872141 0.89 KMT5B (0.50) KMT5BKMT5CNSD2CYP2D6CYP2C19
SCHEMBL6866242 0.88 KMT5B (0.49) KMT5BKMT5CNSD2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818772-B2 DIETETICS, SLEEP DISORDERS, EATING DISORDERS, SEXUAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ABBOTT LABORATORIES 2004-11-16 US claimed
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor ABBVIE INC. 2003-12-11 US claimed
WO-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 WO claimed
US-6818772-B2 DIETETICS, SLEEP DISORDERS, EATING DISORDERS, SEXUAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ABBOTT LABORATORIES 2004-11-16 US disclosed
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor ABBVIE INC. 2003-12-11 US disclosed
WO-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 WO 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-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor MCHR1, MCHR2, MC1R KMT5B 1214/4885KMT5C 1285/4885NSD2 2914/4885

“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.