SCHEMBL6853121

SCHEMBL6853121

O=C(Cc1ccc(Cl)cc1)NCCC1CCCc2[nH]cnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK1 P28482 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KMT2A Q03164 4/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6849634 0.89 POLB (0.43) SMN1; SMN2GAACDK1CDK2MAPK1
SCHEMBL6846960 0.88 HRH3 (0.42) POLBLMNAKMT2ATP53ALDH1A1
SCHEMBL6847114 0.85 L3MBTL1 (0.42) LMNAKMT2AALDH1A1CYP1A2MEN1
SCHEMBL6850901 0.84 CCNA2 (0.42) SMN1; SMN2CDK1CDK2GSK3ALMNA
SCHEMBL7141811 0.84 NPC1 (0.39) SMN1; SMN2KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL6851398 0.79 KMT2A (0.40) CDK1CDK2MAPK1GSK3AGSK3B
SCHEMBL7654772 0.78 ALDH1A1 (0.38) SMN1; SMN2GAALMNATP53ALDH1A1
SCHEMBL6849675 0.78 ALDH1A1 (0.41) POLBLMNAKMT2AALDH1A1HPGD
SCHEMBL6850903 0.73 NPC1 (0.41) KMT2AALDH1A1HPGDMEN1NPC1
SCHEMBL6957290 0.71 LMNA (0.47) POLBLMNAALDH1A1HPGDLTA4H

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-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 US disclosed
US-20030135056-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2003-07-17 US disclosed
EP-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed
US-20020058659-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2002-05-16 US disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 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 (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-20030135056-A1 Imidazole compounds HRH3, HRH4, HRH2 SMN1; SMN2 3954/4885GAA 996/4885CDK1 1075/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 SMN1; SMN2 3954/4885GAA 996/4885CDK1 1075/4885

“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.