Sugi Predict

Sugi Predict / Compounds / SCHEMBL4123932

SCHEMBL4123932

SCHEMBL4123932

CCC(C)C1(C)CCCCc2c(N3CCNCC3)nc(N)nc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 15/20 0.41
▸ HRH3 Q9Y5N1 6/20 0.41
▸ KCNH2 Q12809 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ TACR2 P21452 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ AVPR1A P37288 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ HTR7 P34969 1/20 0.34
▸ HTR6 P50406 1/20 0.34

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
SCHEMBL13650674 0.97 HRH4 (0.41) HRH4HRH3KCNH2KDM4EALDH1A1
SCHEMBL4134162 0.81 HRH4 (0.46) HRH4HRH3KCNH2HTR2AHTR2C
SCHEMBL4127961 0.78 HRH4 (0.44) HRH4HRH3KCNH2KDM4EALDH1A1
SCHEMBL13650672 0.78 HRH4 (0.40) HRH4HRH3KCNH2KDM4EALDH1A1
SCHEMBL604368 0.78 HRH3 (0.58) HRH4HRH3KCNH2HTR2AHTR2C
SCHEMBL4124679 0.76 HRH4 (0.43) HRH4HRH3KCNH2HTR2AHTR2C
SCHEMBL13650673 0.76 HRH4 (0.42) HRH4HRH3KCNH2KDM4EALDH1A1
SCHEMBL606187 0.76 HRH3 (0.63) HRH4HRH3KCNH2HTR2AHTR2C
SCHEMBL4129035 0.76 HRH4 (0.42) HRH4HRH3KCNH2KDM4EALDH1A1
SCHEMBL13650677 0.76 HRH4 (0.46) HRH4HRH3KCNH2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436005-B2 Macrocyclic pyrimidine derivatives ABBOTT LABORATORIES (US) 2013-05-07 — — US disclosed
US-8436005-B2 Macrocyclic pyrimidine derivatives ABBOTT LABORATORIES (US) 2013-05-07 — — US disclosed
US-8436005-B2 Macrocyclic pyrimidine derivatives ABBOTT LABORATORIES (US) 2013-05-07 — — US disclosed
WO-2009123967-A1 5,6,7,8-TETRAHYDROQUINAZOLIN-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ASTHMA ABBOTT LABORATORIES (US) 2009-10-08 — — WO disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 — — US disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 — — US disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 — — 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-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP HRH4 3370/4885HRH3 3555/4885KCNH2 4068/4885

“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.