SCHEMBL1724845

SCHEMBL1724845

CCc1cccc(CCCN)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.53
TAAR1 Q96RJ0 8/20 0.48
MAOA P21397 1/20 0.48
CYP2A6 P11509 1/20 0.46
HTR6 P50406 1/20 0.44
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2A P28223 1/20 0.42
NOS1 P29475 1/20 0.42

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
SCHEMBL12075404 0.94 MAOA (0.57) KIF11TAAR1MAOAHTR2A
SCHEMBL422194 0.89 MAOA (0.58) TAAR1MAOACYP2A6HTR6DRD2
SCHEMBL10287470 0.88 TAAR1 (0.48) KIF11TAAR1MAOACYP2A6HTR6
SCHEMBL10351524 0.88 LPL (0.49) TAAR1MAOACYP2A6HTR6HTR2A
SCHEMBL44414 0.87 TAAR1 (0.63) KIF11TAAR1CYP2A6HTR6DRD2
SCHEMBL612312 0.86 HTR2A (0.57) MAOAHTR2A
Hydrochloric Acid SCHEMBL7865884 0.85 TAAR1 (0.61) KIF11TAAR1CYP2A6HTR6DRD2
SCHEMBL610487 0.84 HTR2A (0.60) MAOAHTR2A
SCHEMBL12510875 0.83 LPL (0.52)
SCHEMBL9490025 0.82 TP53 (0.52) TAAR1MAOACYP2A6CYP1A2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2019-02-12 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 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 (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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT KIF11 4736/4885TAAR1 4463/4885MAOA 693/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 KIF11 2379/4885TAAR1 2715/4885MAOA 1875/4885

“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.