SCHEMBL20729482

SCHEMBL20729482

CCN(C)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.52
CYP3A4 P08684 3/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP19A1 P11511 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
MKNK1 Q9BUB5 4/20 0.50
MKNK2 Q9HBH9 4/20 0.50
KIF11 P52732 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP11B2 P19099 3/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
GRK5 P34947 1/20 0.45
CYP11B1 P15538 2/20 0.44
CYP2E1 P05181 1/20 0.44

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
SCHEMBL20732472 0.87 CYP3A4 (0.53) CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1
SCHEMBL20732238 0.82 CYP2A6 (0.47) CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1
SCHEMBL21018823 0.82 CYP2A6 (0.60) CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1
SCHEMBL3785327 0.82 NPC1 (0.68) CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1
SCHEMBL30909387 0.81 CYP2A6 (0.65) CYP2A6CYP3A4ALDH1A1CYP1A2CYP19A1
SCHEMBL3230643 0.80 CHRNB2 (0.53) CYP2A6CYP2C19CHRNB2CHRNA4
SCHEMBL10109880 0.79 TAAR1 (0.48) ALDH1A1NPC1RAB9A
SCHEMBL17524524 0.79 TAAR1 (0.48) ALDH1A1NPC1RAB9A
SCHEMBL18323114 0.79 ADRA2A (0.52) CYP3A4ALDH1A1KMT2A
SCHEMBL4400993 0.79 ADRA2A (0.52) CYP3A4ALDH1A1KMT2A

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-11124534-B2 Lincosamide antibiotics and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-09-21 US disclosed
US-20200339620-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-10-29 US disclosed
WO-2019032941-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-02-14 WO disclosed
WO-2019032936-A1 LINCONSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT ADN FELLOWS OF HARVARD COLLEGE (US) 2019-02-14 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 (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-11124534-B2 Lincosamide antibiotics and uses thereof LNPEP, LCLAT1, NPEPPS CYP2A6 157/4885CYP3A4 2000/4885ALDH1A1 1559/4885
US-20200339620-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF LNPEP, LCLAT1, NPEPPS CYP2A6 157/4885CYP3A4 2000/4885ALDH1A1 1559/4885

“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.