SCHEMBL5429447

SCHEMBL5429447

CN(C)CCCc1ccc2c(c1)CCCN2C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.57
AVPR1A P37288 6/20 0.57
OXTR P30559 5/20 0.57
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 2/20 0.51
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 1/20 0.47
NR3C1 P04150 1/20 0.47
THRB P10828 1/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46

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
SCHEMBL14500341 0.90 AVPR2 (0.60) AVPR2AVPR1AOXTR
Hydrochloric Acid SCHEMBL5420707 0.89 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL14500331 0.79 KDM4E (0.50) AVPR2AVPR1AOXTRALDH1A1MAPT
Hydrochloric Acid SCHEMBL5419258 0.78 KDM4E (0.49) AVPR2AVPR1AOXTRALDH1A1MAPT
SCHEMBL5418938 0.77 HDAC1 (0.54) AVPR2AVPR1AOXTRALDH1A1NR3C1
SCHEMBL9389632 0.74 AVPR2 (1.00) AVPR2AVPR1AOXTRALDH1A1
SCHEMBL5639987 0.73 TP53 (0.51) MAPTTHRBTP53LMNA
SCHEMBL5420247 0.72 HDAC1 (0.50) AVPR2AVPR1AOXTRALDH1A1NR3C1
SCHEMBL5426483 0.72 IDO1 (0.51) AVPR2AVPR1AOXTRALDH1A1THRB
SCHEMBL5420242 0.72 HDAC1 (0.50) AVPR2AVPR1AOXTRALDH1A1NR3C1

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-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed
US-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed
US-20030158177-A1 Treating or preventing obesity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
EP-1283199-A1 MELANIN-CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-02-12 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 (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-20030158177-A1 Treating or preventing obesity MCHR1, MC1R, NPY1R AVPR2 133/4885AVPR1A 136/4885OXTR 242/4885

“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.