SCHEMBL7217449

SCHEMBL7217449

Cc1noc([C@H](N)Cc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2D6 P10635 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A2 P23975 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
SLC6A3 Q01959 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL18171815 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP2D6HPGDGAA
SCHEMBL7512929 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP2D6HPGDGAA
Hydrochloric Acid SCHEMBL5960988 0.98 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP2D6HPGDGAA
Hydrochloric Acid SCHEMBL6602574 0.98 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP2D6HPGDGAA
Hydrochloric Acid SCHEMBL6320356 0.98 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP2D6HPGDGAA
SCHEMBL4829762 0.91 CYP19A1 (0.43) ALDH1A1SMN1; SMN2CYP2D6HPGDGAA
SCHEMBL4832968 0.87 LTA4H (0.50) SMN1; SMN2GAAL3MBTL1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4831718 0.86 LTA4H (0.49) SMN1; SMN2GAAL3MBTL1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4831723 0.86 LTA4H (0.49) SMN1; SMN2GAAL3MBTL1CYP2C9CYP2C19
SCHEMBL4829650 0.81 SLC6A2 (0.42) SMN1; SMN2KMT2ASLC6A2SLC6A3SLC6A4

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-6653304-B2 Antiarthritic agents; skin disorders; anticarcinogenic agents BRISTOL-MYERS SQUIBB CO. 2003-11-25 US disclosed
EP-1254115-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS FOR TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES Bristol-Myers Squibb Company (US) 2002-11-06 EP disclosed
US-20020119972-A1 Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases BRISTOL-MYERS SQUIBB COMPANY 2002-08-29 US disclosed
WO-2001058869-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS IN TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-16 WO disclosed
EP-0805816-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-11-12 EP disclosed
WO-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 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-20020119972-A1 Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases CNR1, CNR2, GPR18 ALDH1A1 3321/4885SMN1; SMN2 3430/4885CYP2D6 239/4885

“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.