SCHEMBL21744422

SCHEMBL21744422

FC1(F)CCC(NCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.60
OPRL1 P41146 2/20 0.60
GRIN2B Q13224 4/20 0.59
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RAB9A P51151 1/20 0.54
ACHE P22303 7/20 0.54
BACE1 P56817 7/20 0.54
BCHE P06276 5/20 0.54
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
TMEM97 Q5BJF2 1/20 0.47

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
Hydrochloric Acid SCHEMBL31644812 0.85 OPRM1 (0.58) OPRM1OPRL1GRIN2BMEN1KMT2A
SCHEMBL31630259 0.83 ACHE (0.51) OPRM1OPRL1GRIN2BMEN1KMT2A
SCHEMBL31630161 0.83 POLB (0.65) OPRM1OPRL1GRIN2BMEN1KMT2A
SCHEMBL663239 0.82 GRIN2B (0.74) OPRM1OPRL1GRIN2BMEN1KMT2A
SCHEMBL20656939 0.82 OPRM1 (0.54) OPRM1OPRL1GRIN2BMEN1KMT2A
SCHEMBL21744620 0.82 OPRM1 (0.65) OPRM1OPRL1GRIN2BMEN1KMT2A
SCHEMBL22411271 0.81 GRIN2B (0.53) OPRM1OPRL1GRIN2BMEN1KMT2A
Hydrochloric Acid SCHEMBL31629842 0.81 OPRM1 (0.66) OPRM1OPRL1GRIN2BMEN1KMT2A
Hydrochloric Acid SCHEMBL2550113 0.81 MEN1 (0.78) OPRM1OPRL1GRIN2BMEN1KMT2A
SCHEMBL24350665 0.80 GRIN2B (0.49) OPRM1OPRL1GRIN2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 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 (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-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 OPRM1 524/4885OPRL1 405/4885GRIN2B 2480/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 OPRM1 524/4885OPRL1 405/4885GRIN2B 2480/4885

“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.