SCHEMBL21780606

SCHEMBL21780606

CC1(C)CCC(c2ccccc2Br)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR2C P28335 4/20 0.36
KDM1A O60341 2/20 0.36
RCOR1 Q9UKL0 1/20 0.36
SLC6A2 P23975 2/20 0.35
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 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
SCHEMBL22650287 0.80 OPRL1 (0.32)
SCHEMBL28873682 0.76 SMN1; SMN2 (0.48) HTR2BHTR1AHTR7TMEM97SIGMAR1
SCHEMBL21780604 0.74 KDM1A (0.39) HTR2BHTR1AHTR7TMEM97SIGMAR1
SCHEMBL31071952 0.74 KDM1A (0.39) HTR2BHTR1AHTR7TMEM97SIGMAR1
SCHEMBL21767756 0.74 KDM1A (0.39) HTR2BHTR1AHTR7TMEM97SIGMAR1
SCHEMBL21767570 0.74 NPC1 (0.33) SMN1; SMN2NPC1RAB9A
SCHEMBL7440746 0.70 HTR2C (0.47) HTR2BHTR2CKDM1ARCOR1SLC6A2
SCHEMBL30036946 0.70 HTR2C (0.47) HTR2BHTR2CKDM1ARCOR1SLC6A2
SCHEMBL10300817 0.70 HTR2C (0.47) HTR2BHTR2CKDM1ARCOR1SLC6A2
SCHEMBL28841128 0.70 HTR2B (0.38) HTR2BHTR1AHTR7TMEM97SIGMAR1

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-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-11021480-B2 Inhibiting (α-V)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2021-06-01 US disclosed
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-11-12 US disclosed
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed
EP-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 EP 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-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV HTR2B 4128/4885HTR1A 4214/4885HTR7 3531/4885
US-11021480-B2 Inhibiting (α-V)(β-6) integrin ITGB6, ITGA6, ITGAV HTR2B 4293/4885HTR1A 4366/4885HTR7 3575/4885
US-11739087-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV HTR2B 4293/4885HTR1A 4366/4885HTR7 3575/4885

“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.