SCHEMBL1305690

SCHEMBL1305690

NCCN1CCN(Cc2cccnc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.68
CHRNA4 P43681 1/20 0.68
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
TRPV6 Q9H1D0 2/20 0.55
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
CASP1 P29466 1/20 0.52
CASP4 P49662 1/20 0.52
CASP5 P51878 1/20 0.52
CHRNA7 P36544 1/20 0.51
GFER P55789 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL16026435 0.88 CHRNB2 (0.85) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL9346879 0.84 SIGMAR1 (0.67) KDM4EALDH1A1CHRNA7
SCHEMBL7194677 0.84 CHRNB2 (0.68) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL8306431 0.83 CHRNB2 (0.72) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL15800693 0.83 CHRNB2 (0.77) CHRNB2CHRNA4KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL2985111 0.83 CHRNB2 (0.66) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL4166707 0.83 CHRNB2 (0.66) CHRNB2CHRNA4KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL2980328 0.82 CHRNB2 (0.70) CHRNB2CHRNA4KDM4EALDH1A1TDP1
Bromide SCHEMBL4166152 0.81 CHRNB2 (0.64) CHRNB2CHRNA4KDM4EALDH1A1TDP1
N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL1538320 0.81 CHRNB2 (1.00) CHRNB2CHRNA4KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US disclosed
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 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 (3 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 CHRNB2 4380/4885CHRNA4 3116/4885KDM4E 1661/4885
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 CHRNB2 4510/4885CHRNA4 3595/4885KDM4E 920/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 CHRNB2 4380/4885CHRNA4 3116/4885KDM4E 1661/4885

“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.