SCHEMBL17166457

SCHEMBL17166457

CN1CCCC2(CNC(=O)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
USP2 O75604 4/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP1A2 P05177 2/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CYP3A4 P08684 5/20 0.38
HIF1A Q16665 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LRRK2 Q5S007 1/20 0.34
PIK3CA P42336 1/20 0.34
JAK2 O60674 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
SCHEMBL25051602 1.00 TSHR (0.41) TSHRUSP2CYP2D6CYP2C9HSD17B10
SCHEMBL25051581 1.00 TSHR (0.41) TSHRUSP2CYP2D6CYP2C9HSD17B10
SCHEMBL16565923 0.89 CYP11B1 (0.46) TSHRUSP2CYP2D6CYP2C9HSD17B10
SCHEMBL21673246 0.81 SMN1; SMN2 (0.43) CYP11B1CYP11B2PDCD1LG2CD274OPRM1
SCHEMBL22047418 0.79 CYP11B1 (0.39) TSHRUSP2CYP2D6CYP2C9CYP11B1
SCHEMBL24938398 0.79 CD274 (0.45) TSHRCYP2D6CYP2C9CYP11B1CYP11B2
SCHEMBL22047376 0.79 CYP11B1 (0.39) CYP11B1CYP11B2PDCD1LG2CD274OPRM1
SCHEMBL17166228 0.79 CYP11B1 (0.39) CYP11B1CYP11B2PDCD1LG2CD274OPRM1
SCHEMBL8008730 0.78 CYP11B1 (0.48) TSHRCYP11B1CYP11B2PDCD1LG2CD274
SCHEMBL2522078 0.75 OPRM1 (0.47) CYP11B1CYP11B2PDCD1LG2CD274OPRM1

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
WO-2023173016-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
US-9642855-B2 Substituted pyrrolo[2,3-d]pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2017-05-09 US disclosed
US-20150366874-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d]Pyrimidines As LRRK2 Inhibitors PFIZER INC. (US) 2015-12-24 US disclosed
US-9156845-B2 4-(substituted amino)-7H-pyrrolo[2,3-d] pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2015-10-13 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-20150366874-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d]Pyrimidines As LRRK2 Inhibitors LRRK2, PARK7, BRCA1 TSHR 3048/4885USP2 4334/4885CYP2D6 983/4885

“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.