SCHEMBL20329573

SCHEMBL20329573

CC(C)(C)CC1CCNc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.47
▸ CCKBR P32239 2/20 0.33
▸ F12 P00748 7/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ F2 P00734 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ AR P10275 2/20 0.30

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
SCHEMBL17075225 0.83 BCHE (0.44) BCHECCKBRHTR2CTACR1AR
SCHEMBL21282546 0.83 CCKBR (0.39) BCHECCKBR
SCHEMBL6648615 0.81 BCHE (0.50) BCHECCKBRF12HTR2CF2
SCHEMBL23308864 0.78 BCHE (0.45) BCHECCKBRF12HTR2CAR
SCHEMBL20570921 0.78 BCHE (0.57) BCHECCKBRF12F2AR
SCHEMBL6332268 0.77 BCHE (0.44) BCHECCKBRF12HTR2C
SCHEMBL3693863 0.77 BCHE (0.44) BCHECCKBRF12HTR2C
SCHEMBL10841290 0.77 BCHE (0.44) BCHECCKBRF12HTR2CF2
SCHEMBL29960220 0.77 BCHE (0.44) BCHECCKBRHTR2C
Hydrochloric Acid SCHEMBL29960802 0.75 BCHE (0.43) BCHECCKBRHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 — — US disclosed
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 — — US disclosed
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 — — US disclosed
US-10662175-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-26 — — US disclosed
US-20180179186-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 — — 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 (5 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-20180179186-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH BCHE 3473/4885CCKBR 3964/4885F12 15/4885
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH BCHE 1652/4885CCKBR 983/4885F12 9/4885
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI BCHE 1975/4885CCKBR 3194/4885F12 13/4885
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH BCHE 1652/4885CCKBR 983/4885F12 9/4885
US-10662175-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH BCHE 3473/4885CCKBR 3964/4885F12 15/4885

“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.

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