Sugi Predict

Sugi Predict / Compounds / SCHEMBL4002900

SCHEMBL4002900

SCHEMBL4002900

CN1CCC(c2nn(S(=O)(=O)c3ccc(C(=O)NCc4ccc(F)cc4)cc3)c3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.45
▸ CXCR4 P61073 1/20 0.45
▸ HTR6 P50406 1/20 0.44
▸ RORC P51449 6/20 0.44
▸ USP5 P45974 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ NAMPT P43490 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GNRHR P30968 1/20 0.42
▸ PTGER4 P35408 1/20 0.42

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
SCHEMBL4013129 0.91 ALDH1A1 (0.48) CCR1ALDH1A1CXCR4RORCUSP5
SCHEMBL1415182 0.82 HTR6 (0.66) CCR1ALDH1A1CXCR4HTR6RORC
SCHEMBL4006291 0.80 CXCR4 (0.53) CCR1ALDH1A1CXCR4RORCLMNA
SCHEMBL4013046 0.79 ALDH1A1 (0.53) ALDH1A1CXCR4POLBNAMPTLMNA
SCHEMBL4012307 0.78 CXCR4 (0.53) ALDH1A1CXCR4RORCLMNAPTGER4
SCHEMBL4007300 0.78 CXCR4 (0.53) ALDH1A1CXCR4RORCLMNAPTGER4
SCHEMBL5252318 0.78 HTR6 (0.46) HTR6POLB
SCHEMBL4013097 0.78 TP53 (0.55) ALDH1A1CXCR4POLBNAMPTTP53
Hydrochloric Acid SCHEMBL10395804 0.77 HTR6 (0.46) HTR6POLB
SCHEMBL5006331 0.77 USP5 (0.41) ALDH1A1RORCUSP5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 — — US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 — — US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 — — US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 — — US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 — — US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 — — US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 — — US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 — — US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 — — US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 — — 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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 CCR1 123/4885ALDH1A1 3227/4885CXCR4 690/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG CCR1 136/4885ALDH1A1 3181/4885CXCR4 768/4885

“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.