SCHEMBL14084760

SCHEMBL14084760

CCc1ccc2cnc(C(C)C)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ GRM4 Q14833 1/20 0.40
▸ RIOK2 Q9BVS4 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33

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
SCHEMBL21212677 0.79 GRM4 (0.36) GRM4HTR2AHTR2CHTR2B
SCHEMBL1878783 0.77 CYP2A6 (0.76) CYP1A2CYP2A6AKR1C3AKR1C2RIOK2
SCHEMBL29475635 0.77 CYP2A6 (0.76) CYP1A2CYP2A6AKR1C3AKR1C2RIOK2
SCHEMBL805508 0.77 CYP1A2 (0.53) CYP1A2CYP2A6AKR1C3AKR1C2RIOK2
SCHEMBL10199297 0.77 GRM4 (0.42) CYP1A2CYP2A6GRM4TRPA1NPC1
SCHEMBL10262506 0.77 CYP1A2 (0.54) CYP1A2CYP2A6GRM4HTR2AHTR2C
SCHEMBL20285552 0.75 ESR1 (0.38) GRM4HTR2AHTR2CHTR2BESR1
SCHEMBL12064450 0.75 NOS3 (0.53) CYP1A2CYP2A6AKR1C3AKR1C2NOS3
SCHEMBL18563394 0.75 GRM4 (0.44) GRM4NOS3NOS1NOS2RAB9A
SCHEMBL19843833 0.75 CYP1A2 (0.47) CYP1A2CYP2A6AKR1C3AKR1C2RIOK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145003-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-11 — — US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — US disclosed
US-20080221094-A1 Metalloprotease inhibitors containing a squaramide moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — US 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 (3 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 CYP1A2 415/4885CYP2A6 569/4885AKR1C3 1944/4885
US-20080221094-A1 Metalloprotease inhibitors containing a squaramide moiety MMP13, MMP14, MMP11 CYP1A2 3061/4885CYP2A6 2323/4885AKR1C3 3372/4885
US-20230145003-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB CYP1A2 3256/4885CYP2A6 2405/4885AKR1C3 3263/4885

“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.

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