SCHEMBL18387802

SCHEMBL18387802

CCCC(C)(C)CCc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.50
MAOB P27338 4/20 0.43
MAOA P21397 2/20 0.43
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 2/20 0.39
MAPT P10636 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
TNNC1 P63316 5/20 0.39
SGPL1 O95470 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
GPR183 P32249 1/20 0.39
CERS2 Q96G23 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL18387848 0.89 MAOB (0.47) GFERMAOBMAOAALDH1A1TSHR
SCHEMBL18387786 0.83 ESR1 (0.43) GFERMAOBMAOAALDH1A1CYP3A4
SCHEMBL24143907 0.80 KCNH2 (0.44) MAOBTAAR1S1PR1
SCHEMBL19683148 0.79 HTR2A (0.52) GFERMAOBALDH1A1CYP3A4MAPT
SCHEMBL5833727 0.79 TP53 (0.42) ALDH1A1TDP1MAPTTAAR1CYP2A6
SCHEMBL7388083 0.79 GFER (0.59) GFERMAOBMAOAALDH1A1CYP3A4
SCHEMBL5633460 0.77 GFER (0.46) GFERMAOBMAOAALDH1A1CYP3A4
SCHEMBL11131886 0.77 GFER (0.56) GFERMAOBMAOAALDH1A1CYP3A4
SCHEMBL19606967 0.76 LOXL2 (0.43) ALDH1A1CYP3A4TSHRTDP1CYP1A2
SCHEMBL5962 0.75 GFER (0.68) GFERMAOBMAOAALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 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 (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-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 GFER 3775/4885MAOB 3920/4885MAOA 3518/4885

“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.