SCHEMBL20710201

SCHEMBL20710201

CC(C)[C@H](C)c1ccc(CN2CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.64
HRH4 Q9H3N8 1/20 0.58
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 3/20 0.56
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
NCF1 P14598 1/20 0.51
MEN1 O00255 1/20 0.51
GFER P55789 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MBTD1 Q05BQ5 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL11139655 0.85 HRH3 (0.69) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL19852589 0.84 LMNA (0.59) HRH3ALDH1A1KDM4ENCF1SMN1; SMN2
SCHEMBL14847024 0.84 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL1935806 0.84 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7404903 0.84 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL4547890 0.83 HRH3 (0.65) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL18737247 0.83 HRH3 (0.61) HRH3ALDH1A1SMN1; SMN2
SCHEMBL8288417 0.82 HRH3 (0.64) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL10178419 0.81 HRH3 (0.62) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL4277270 0.80 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2023-11-23 US disclosed
US-20190038600-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DEISEASES BOEHRINGER INGELHEIM INT (DE) 2019-02-07 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 (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-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 HRH3 380/4885HRH4 368/4885ALDH1A1 174/4885
US-20190038600-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DEISEASES MMP1, COL1A1, IDO1 HRH3 335/4885HRH4 253/4885ALDH1A1 200/4885

“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.