SCHEMBL8040655

SCHEMBL8040655

CCN(Cc1ccc(C)cc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 1/20 0.40
▸ CNR2 P34972 8/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ CNR1 P21554 5/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL13966087 0.82 KCNH2 (0.42) HRH3
SCHEMBL12562387 0.81 TSHR (0.50) CNR2CYP2C19HTR1AALDH1A1OPRM1
SCHEMBL18135508 0.79 OPRK1 (0.39) PYCR1CNR2CYP2C19IDO1ADRB2
SCHEMBL13551802 0.78 NR1H2 (0.42) CYP2C19ALDH1A1CYP1A2
SCHEMBL22651799 0.77 TAAR1 (0.43) HRH3CYP2C19IDO1HPGDTAAR1
SCHEMBL727465 0.75 IDO1 (0.38) PYCR1CNR2IDO1ALDH1A1HPGD
SCHEMBL13551804 0.74 PYCR1 (0.47) PYCR1CNR2HRH3CYP2C19IDO1
SCHEMBL20511190 0.73 MEN1 (0.42) PYCR1CYP2C19ADRB2ADRB1HTR1A
SCHEMBL12763728 0.73 HRH3 (0.62) PYCR1CNR2HRH3CYP2C19IDO1
SCHEMBL5925786 0.73 HRH3 (0.70) PYCR1CNR2HRH3CYP2C19IDO1

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-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 — — US disclosed
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 — — US disclosed
US-11472807-B2 Purine derivatives for use as medicament and for use in treating neurodegenerative or neuro-inflammatory disorders Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2022-10-18 — — US disclosed
WO-2009099177-A1 AMINO IMIDAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 — — 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-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES ADORA1, OXGR1, ADORA2A PYCR1 640/4885CNR2 92/4885HRH3 284/4885
US-11472807-B2 Purine derivatives for use as medicament and for use in treating neurodegenerative or neuro-inflammatory disorders TPMT, ADORA2A, PNP PYCR1 1206/4885CNR2 367/4885HRH3 967/4885

“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.

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