SCHEMBL7220481

SCHEMBL7220481

Cc1coc(CCNc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRM5 P41594 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
HTR2A P28223 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
DRD4 P21917 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
SCHEMBL11557714 0.76 NPC1 (0.45) L3MBTL1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL4285196 0.72 ATM (0.44) L3MBTL1TDP1
SCHEMBL11542226 0.71 ELANE (0.48) L3MBTL1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL11453485 0.70 SMN1; SMN2 (0.42) L3MBTL1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3422581 0.69 ALDH1A1 (0.41) ALDH1A1HRH3CYP1A2CYP2C19
SCHEMBL8028575 0.69 GRM5 (0.46) MAPTALDH1A1HRH3CYP1A2CYP3A4
SCHEMBL21894058 0.67
SCHEMBL2500333 0.66 GAA (0.68) L3MBTL1MAPTALDH1A1HRH3SMN1; SMN2
SCHEMBL27675077 0.65 MAPT (0.56) L3MBTL1MAPTALDH1A1HRH3CYP1A2
SCHEMBL232188 0.65 MAPT (0.78) L3MBTL1MAPTALDH1A1HRH3CYP1A2

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 4 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

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 L3MBTL1 2711/4885MAPT 4708/4885ALDH1A1 3321/4885

“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.