SCHEMBL6313436

SCHEMBL6313436

c1ccc2nc3c(nc2c1)CCNCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.48
MAPT P10636 2/20 0.46
HTR2A P28223 6/20 0.42
HTR2B P41595 5/20 0.42
HTR3A P46098 3/20 0.41
HTR6 P50406 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HTR3B O95264 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6312249 0.89 HTR2C (0.47) HTR2CMAPTHTR2AHTR2BCYP3A4
Phenazine SCHEMBL28230388 0.79 MAPT (0.65) HTR2CMAPTHTR3AHTR6HTR3E
SCHEMBL6312101 0.78 HTR2C (0.47) HTR2CMAPTHTR2AHTR2BHTR3A
SCHEMBL2926573 0.77 KMT2A (0.56) MAPTCHRM1KDM4EALDH1A1CYP1A2
SCHEMBL14572403 0.77 BCHE (0.53) MAPTCHRM1KDM4EALDH1A1CYP1A2
SCHEMBL11455493 0.76 MEN1 (0.45) MAPTCHRM1KDM4EALDH1A1CYP1A2
SCHEMBL6307293 0.74 MEN1 (0.43) HTR2CMAPTHTR2AHTR2BHTR3A
SCHEMBL11832472 0.74 ALDH1A1 (0.55) HTR2CMAPTHTR2AHTR2BHTR3A
Hydrochloric Acid SCHEMBL11833405 0.73 MAPT (0.53) HTR2CMAPTHTR2AHTR2BHTR6
Hydrochloric Acid SCHEMBL11828754 0.73 ALDH1A1 (0.57) HTR2CMAPTHTR2AHTR2BCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6930185-B2 Melanin-concentrating hormone antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040077628-A1 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
EP-1285651-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2003-02-26 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-20040077628-A1 Melanin-concentrating hormone antagonist MCHR1, MC1R, MCHR2 HTR2C 107/4885MAPT 3638/4885HTR2A 96/4885

“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.