SCHEMBL16634449

SCHEMBL16634449

CCCCCc1ccc(N)c(CCCCC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.59
TLR8 Q9NR97 6/20 0.50
HTR2A P28223 1/20 0.50
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSPD1 P10809 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2C P28335 1/20 0.46
HSPE1 P61604 1/20 0.46

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
SCHEMBL10623217 0.98 SKP2 (0.58) SKP2TLR8HTR2AESR1ADRA2A
SCHEMBL30439206 0.98 SKP2 (0.58) SKP2TLR8HTR2AESR1ADRA2A
SCHEMBL8375841 0.94 SKP2 (0.67) SKP2TLR8HTR2AALDH1A1HSD17B10
SCHEMBL15175048 0.91 SKP2 (0.58) SKP2TLR8HTR2AESR1ADRA2A
SCHEMBL5372549 0.91 SKP2 (0.49) SKP2TLR8HTR2AESR1ADRA2A
SCHEMBL8094574 0.90 SKP2 (0.49) SKP2TLR8HTR2AESR1ADRA2A
SCHEMBL5382000 0.89 SKP2 (0.47) SKP2TLR8HTR2AESR1ADRA2A
SCHEMBL2561468 0.89 SKP2 (0.56) SKP2TLR8HTR2AESR1ADRA2A
SCHEMBL5830998 0.89 SKP2 (0.56) SKP2TLR8HTR2AESR1ADRA2A
SCHEMBL5830536 0.89 SKP2 (0.47) SKP2TLR8HTR2AESR1ADRA2A

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-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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 (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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR SKP2 2229/4885TLR8 3456/4885HTR2A 4021/4885

“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.