SCHEMBL3620105

SCHEMBL3620105

O=C1CC2CN(C(=O)O)CCN2c2cc(/C=C/c3ccccc3)ccc2N1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 0.36
SIGMAR1 Q99720 5/20 0.36
ALDH1A1 P00352 2/20 0.36
PARP1 P09874 1/20 0.35
ADAM10 O14672 1/20 0.35
ERBB2 P04626 1/20 0.35
MMP2 P08253 1/20 0.35
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 1/20 0.34
NPY2R P49146 1/20 0.33
LMNA P02545 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
SCHEMBL3620108 1.00 MAOA (0.38) MAOAMAOBBRD4CREBBPSIGMAR1
SCHEMBL17554804 0.91 MAOB (0.41) MAOAMAOBALDH1A1PARP1MMP2
SCHEMBL17554805 0.91 MAOB (0.41) MAOAMAOBALDH1A1PARP1MMP2
SCHEMBL2017525 0.87 CRBN (0.41) SIGMAR1
SCHEMBL2017520 0.87 CRBN (0.41) SIGMAR1
SCHEMBL691094 0.84 SIGMAR1 (0.43) BRD4SIGMAR1ALDH1A1ADAM10ERBB2
SCHEMBL3630035 0.83 BRD4 (0.39) MAOAMAOBBRD4CREBBPSIGMAR1
SCHEMBL3626167 0.83 BRD4 (0.39) MAOAMAOBBRD4CREBBPSIGMAR1
SCHEMBL16819095 0.82 TSHR (0.38) BRD4CREBBPSIGMAR1MEN1KMT2A
SCHEMBL692752 0.82 DRD2 (0.38) MAOAMAOBBRD4CREBBPSIGMAR1

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-9701679-B2 Modulators of 5-HT receptors and methods of use thereof Abb Vie Deutschland GmbH & Co. KG (DE) 2017-07-11 US disclosed
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-25 US disclosed
US-8518933-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-08-27 US disclosed
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 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 (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-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MAOA 283/4885MAOB 194/4885BRD4 523/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MAOA 283/4885MAOB 194/4885BRD4 523/4885

“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.