SCHEMBL3552550

SCHEMBL3552550

C1=CC2(CCC2)Oc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.72
HTR2B P41595 3/20 0.72
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
SCD O00767 1/20 0.38
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL1115308 0.94 HTR2C (0.70) HTR2CHTR2BADRA1DADRA1AADRA1B
SCHEMBL468604 0.84 HTR2C (1.00) HTR2CHTR2BADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3226116 0.82 HTR2C (0.97) HTR2CHTR2BADRA1DADRA1AADRA1B
SCHEMBL3413391 0.81 HTR2C (0.62) HTR2CHTR2BADRA1DADRA1AADRA1B
SCHEMBL7370885 0.81 HTR2C (0.62) HTR2CHTR2BADRA1DADRA1AADRA1B
SCHEMBL12481728 0.77 HTR2C (0.57) HTR2CHTR2BADRA1DADRA1AADRA1B
Butane SCHEMBL8573679 0.77 HTR2C (0.85) HTR2CHTR2BADRA1DADRA1AADRA1B
SCHEMBL8002464 0.77 ADRA1A (0.66) HTR2CHTR2BADRA1DADRA1AADRA1B
SCHEMBL9577659 0.76 HTR2C (0.56) HTR2CHTR2BADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3213611 0.76 HTR2C (0.79) HTR2CHTR2BADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240342301-A1 ANTIBODY-DRUG CONJUGATES MC SAF (FR) 2024-10-17 US disclosed
US-20230277678-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS MC SAF (FR) 2023-09-07 US disclosed
EP-4181964-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS Mc SAF (FR) 2023-05-24 EP disclosed
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 US disclosed
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2019-09-05 US disclosed
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2019-07-16 US disclosed
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 US disclosed
US-20160355521-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2016-12-08 US disclosed
EP-2920166-B1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC (US) 2016-11-02 EP disclosed
EP-2920166-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN Array Biopharma, Inc. (US) 2015-09-23 EP disclosed
WO-2014078454-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
US-7838676-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-11-23 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 (7 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-20230277678-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS SHBG, SERPINA6, F13B HTR2C 4480/4885HTR2B 3883/4885ADRA1D 2589/4885
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 HTR2C 1478/4885HTR2B 1112/4885ADRA1D 716/4885
US-20240342301-A1 ANTIBODY-DRUG CONJUGATES FCGRT, FCGR3B, FCGR2A HTR2C 4065/4885HTR2B 4016/4885ADRA1D 4483/4885
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 HTR2C 485/4885HTR2B 206/4885ADRA1D 31/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 HTR2C 1478/4885HTR2B 1112/4885ADRA1D 716/4885
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 HTR2C 1478/4885HTR2B 1112/4885ADRA1D 716/4885
US-20160355521-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 HTR2C 1478/4885HTR2B 1112/4885ADRA1D 716/4885

“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.