SCHEMBL375601

SCHEMBL375601

CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 6/20 1.00
ENPP1 P22413 4/20 1.00
P2RY11 Q96G91 3/20 1.00
P2RX3 P56373 2/20 1.00
P2RX1 P51575 1/20 1.00
P2RY6 Q15077 1/20 1.00
P2RX4 Q99571 1/20 1.00
P2RY12 Q9H244 3/20 0.98
LMNA P02545 1/20 0.76
BLM P54132 1/20 0.76
KMT2A Q03164 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76

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
SCHEMBL29381860 1.00 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL375602 1.00 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL10120953 1.00 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL18089710 0.99 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL195864 0.99 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL195865 0.99 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL12216627 0.97 P2RY1 (0.95) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL18089797 0.94 P2RY1 (1.00) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL18089712 0.93 P2RY1 (0.89) P2RY1ENPP1P2RY11P2RX3P2RX1
SCHEMBL8862410 0.92 P2RY1 (0.86) P2RY1ENPP1P2RY11P2RX3P2RX1

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-11648233-B2 Heripenes with pain-relieving effect, active substances of Hericium erinaceus mycelium and the preparation method thereof, and pharmaceutical composition containing the heripenes or active substances GRAPE KING BIO LTD. (TW) 2023-05-16 US disclosed
US-20200068815-A1 HERIPENES WITH PAIN-RELIEVING EFFECT, ACTIVE SUBSTANCES OF Hericium erinaceus MYCELIUM AND THE PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE HERIPENES OR ACTIVE SUBSTANCES GRAPE KING BIO LTD. (TW) 2020-03-05 US disclosed
US-20170312247-A1 HERIPENES WITH PAIN-RELIEVING EFFECT, ACTIVE SUBSTANCES OF Hericium erinaceus MYCELIUM AND THE PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE HERIPENES OR ACTIVE SUBSTANCES GRAPE KING BIO LTD. (TW) 2017-11-02 US disclosed
EP-2410332-A1 Method for identifying purinergic modulators of the olfactory system The University Of Utah (US) 2012-01-25 EP disclosed
EP-1624753-B1 PURINERGIC MODULATION OF SMELL UNIV UTAH RES FOUND (US) 2012-01-25 EP disclosed
US-7557092-B2 Purinergic modulation of smell UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2009-07-07 US disclosed
US-20060264398-A1 Purinergic modulation of smell NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-11-23 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 (4 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-11648233-B2 Heripenes with pain-relieving effect, active substances of Hericium erinaceus mycelium and the preparation method thereof, and pharmaceutical composition containing the heripenes or active substances ERG28, HINT1, EIF5B P2RY1 182/4885ENPP1 1721/4885P2RY11 964/4885
US-20200068815-A1 HERIPENES WITH PAIN-RELIEVING EFFECT, ACTIVE SUBSTANCES OF Hericium erinaceus MYCELIUM AND THE PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE HERIPENES OR ACTIVE SUBSTANCES ERG28, HINT1, EIF5B P2RY1 182/4885ENPP1 1721/4885P2RY11 964/4885
US-20170312247-A1 HERIPENES WITH PAIN-RELIEVING EFFECT, ACTIVE SUBSTANCES OF Hericium erinaceus MYCELIUM AND THE PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE HERIPENES OR ACTIVE SUBSTANCES ERG28, HINT1, EIF5B P2RY1 182/4885ENPP1 1721/4885P2RY11 964/4885
US-20060264398-A1 Purinergic modulation of smell P2RX5, P2RX3, P2RX6 P2RY1 37/4885ENPP1 396/4885P2RY11 57/4885

“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.