SCHEMBL17006200

SCHEMBL17006200

CC(CCCCOC1(C)CCN(C(=O)O)CC1)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
CYP2D6 P10635 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
GGT1 P19440 1/20 0.37
FAAH O00519 2/20 0.36
TGM2 P21980 1/20 0.35
BCHE P06276 1/20 0.35
CCR1 P32246 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
SCHEMBL17006158 0.88 TSHR (0.42) MEN1KMT2A
SCHEMBL17006159 0.88 TSHR (0.42) MEN1KMT2A
SCHEMBL17006186 0.81 TACR1 (0.39) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL17006185 0.81 TACR1 (0.39) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL17006198 0.79 CYP3A4 (0.33) CYP2D6MEN1CYP2C9KMT2A
SCHEMBL17006175 0.77 ALDH1A1 (0.30)
SCHEMBL17022176 0.71 OPRD1 (0.40) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL17006111 0.70 TSHR (0.41)
SCHEMBL17006223 0.70 CYP4F2 (0.33)
SCHEMBL17006075 0.69 PAOX (0.35)

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
EP-3107918-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-12-28 EP disclosed
US-9273067-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
WO-2015126737-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
US-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 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-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication TYMP, EIF2AK2, MAVS SLC1A3 4752/4885SLC1A2 4745/4885SLC1A1 4660/4885

“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.